 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer05_STD_M11_def2SVPD.in
 Output=10_L-serine_conformer05_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-63532.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     63533.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer05_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:35:19 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer05_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.143775000000     -0.674095000000     -0.437636000000
  C                                                -0.192819000000      0.114958000000      0.470853000000
  C                                                 1.243923000000     -0.263455000000      0.087563000000
  O                                                 1.874804000000      0.673356000000     -0.628783000000
  O                                                -2.504247000000     -0.351006000000     -0.184987000000
  N                                                -0.416115000000      1.547904000000      0.283938000000
  O                                                 1.734731000000     -1.321804000000      0.371413000000
  H                                                -0.341797000000     -0.217774000000      1.503620000000
  H                                                -0.962424000000     -0.398578000000     -1.477959000000
  H                                                -0.944875000000     -1.741017000000     -0.322569000000
  H                                                 1.241903000000      1.425342000000     -0.687718000000
  H                                                -1.387261000000      1.719755000000      0.048304000000
  H                                                -0.202584000000      2.074274000000      1.121954000000
  H                                                -2.776443000000     -0.766154000000      0.640980000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:35:19 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.143775   -0.674095   -0.437636
      2          6           0       -0.192819    0.114958    0.470853
      3          6           0        1.243923   -0.263455    0.087563
      4          8           0        1.874804    0.673356   -0.628783
      5          8           0       -2.504247   -0.351006   -0.184987
      6          7           0       -0.416115    1.547904    0.283938
      7          8           0        1.734731   -1.321804    0.371413
      8          1           0       -0.341797   -0.217774    1.503620
      9          1           0       -0.962424   -0.398578   -1.477959
     10          1           0       -0.944875   -1.741017   -0.322569
     11          1           0        1.241903    1.425342   -0.687718
     12          1           0       -1.387261    1.719755    0.048304
     13          1           0       -0.202584    2.074274    1.121954
     14          1           0       -2.776443   -0.766154    0.640980
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533713   0.000000
     3  C    2.479024   1.534384   0.000000
     4  O    3.311190   2.407503   1.337452   0.000000
     5  O    1.420951   2.447437   3.759086   4.519111   0.000000
     6  N    2.446924   1.462235   2.464815   2.616525   2.861127
     7  O    3.059393   2.406163   1.200652   2.236219   4.384172
     8  H    2.149389   1.095223   2.126455   3.202277   2.746877
     9  H    1.091361   2.157285   2.708705   3.149604   2.012774
    10  H    1.091386   2.154008   2.672496   3.724722   2.093490
    11  H    3.187732   2.262260   1.858252   0.984642   4.176337
    12  H    2.454779   2.044655   3.295116   3.492058   2.364346
    13  H    3.297225   2.064691   2.937231   3.056664   3.589949
    14  H    1.958952   2.735035   4.089293   5.031758   0.963670
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.587341   0.000000
     8  H    2.147269   2.610123   0.000000
     9  H    2.681702   3.398112   3.050849   0.000000
    10  H    3.385918   2.799578   2.453353   1.771264   0.000000
    11  H    1.925658   2.985205   3.163842   2.968202   3.865380
    12  H    1.013992   4.370619   2.639121   2.645241   3.508589
    13  H    1.012389   3.981187   2.327774   3.667683   4.146575
    14  H    3.324679   4.553252   2.640524   2.813482   2.287668
                   11         12         13         14
    11  H    0.000000
    12  H    2.746072   0.000000
    13  H    2.404697   1.637641   0.000000
    14  H    4.766046   2.908751   3.863175   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.91D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.143775   -0.674095   -0.437636
      2          6           0       -0.192819    0.114958    0.470853
      3          6           0        1.243923   -0.263455    0.087563
      4          8           0        1.874804    0.673356   -0.628783
      5          8           0       -2.504247   -0.351006   -0.184987
      6          7           0       -0.416115    1.547904    0.283938
      7          8           0        1.734731   -1.321804    0.371413
      8          1           0       -0.341797   -0.217774    1.503620
      9          1           0       -0.962424   -0.398578   -1.477959
     10          1           0       -0.944875   -1.741017   -0.322569
     11          1           0        1.241903    1.425342   -0.687718
     12          1           0       -1.387261    1.719755    0.048304
     13          1           0       -0.202584    2.074274    1.121954
     14          1           0       -2.776443   -0.766154    0.640980
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5014835           1.8258175           1.4640838
 Leave Link  202 at Thu Aug 12 21:35:19 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   219 symmetry adapted cartesian basis functions of A   symmetry.
 There are   205 symmetry adapted basis functions of A   symmetry.
   205 basis functions,   303 primitive gaussians,   219 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       323.3201492639 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:35:20 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   205 RedAO= T EigKep=  5.97D-05  NBF=   205
 NBsUse=   205 1.00D-06 EigRej= -1.00D+00 NBFU=   205
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   219   219   219   219   219 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 21:35:20 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:35:21 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer05_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:35:21 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368609234 LenY=  5368560832
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.496630019721    
 DIIS: error= 4.99D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.496630019721     IErMin= 1 ErrMin= 4.99D-03
 ErrMax= 4.99D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-02 BMatP= 1.96D-02
 IDIUse=3 WtCom= 9.50D-01 WtEn= 4.99D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.463 Goal=   None    Shift=    0.000
 GapD=    0.463 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.41D-03 MaxDP=1.21D-01              OVMax= 2.01D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.41D-03    CP:  1.00D+00
 E= -398.515783753189     Delta-E=       -0.019153733468 Rises=F Damp=F
 DIIS: error= 1.45D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.515783753189     IErMin= 2 ErrMin= 1.45D-03
 ErrMax= 1.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-03 BMatP= 1.96D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.45D-02
 Coeff-Com:  0.193D-01 0.981D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.190D-01 0.981D+00
 Gap=     0.421 Goal=   None    Shift=    0.000
 RMSDP=9.64D-04 MaxDP=2.82D-02 DE=-1.92D-02 OVMax= 9.47D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.16D-04    CP:  1.00D+00  1.15D+00
 E= -398.516633327392     Delta-E=       -0.000849574203 Rises=F Damp=F
 DIIS: error= 1.29D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.516633327392     IErMin= 3 ErrMin= 1.29D-03
 ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.81D-04 BMatP= 1.24D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
 Coeff-Com: -0.661D-01 0.482D+00 0.584D+00
 Coeff-En:   0.000D+00 0.994D-01 0.901D+00
 Coeff:     -0.653D-01 0.477D+00 0.588D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=2.01D-04 MaxDP=9.33D-03 DE=-8.50D-04 OVMax= 4.36D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.44D-04    CP:  1.00D+00  1.18D+00  9.35D-01
 E= -398.517287174148     Delta-E=       -0.000653846757 Rises=F Damp=F
 DIIS: error= 2.26D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.517287174148     IErMin= 4 ErrMin= 2.26D-04
 ErrMax= 2.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-05 BMatP= 9.81D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.26D-03
 Coeff-Com: -0.186D-01 0.607D-01 0.151D+00 0.807D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.186D-01 0.605D-01 0.151D+00 0.807D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=7.82D-05 MaxDP=2.60D-03 DE=-6.54D-04 OVMax= 1.29D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.44D-05    CP:  1.00D+00  1.18D+00  9.83D-01  1.11D+00
 E= -398.517315001500     Delta-E=       -0.000027827352 Rises=F Damp=F
 DIIS: error= 9.25D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.517315001500     IErMin= 5 ErrMin= 9.25D-05
 ErrMax= 9.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.34D-06 BMatP= 2.62D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.348D-02-0.490D-01-0.423D-01 0.289D+00 0.799D+00
 Coeff:      0.348D-02-0.490D-01-0.423D-01 0.289D+00 0.799D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=2.89D-05 MaxDP=7.97D-04 DE=-2.78D-05 OVMax= 8.18D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.28D-05    CP:  1.00D+00  1.18D+00  1.00D+00  1.18D+00  1.07D+00
 E= -398.517320603226     Delta-E=       -0.000005601726 Rises=F Damp=F
 DIIS: error= 4.48D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.517320603226     IErMin= 6 ErrMin= 4.48D-05
 ErrMax= 4.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.86D-07 BMatP= 5.34D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.339D-02-0.299D-01-0.349D-01 0.765D-01 0.394D+00 0.591D+00
 Coeff:      0.339D-02-0.299D-01-0.349D-01 0.765D-01 0.394D+00 0.591D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=7.90D-06 MaxDP=2.74D-04 DE=-5.60D-06 OVMax= 2.46D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.64D-06    CP:  1.00D+00  1.18D+00  1.01D+00  1.19D+00  1.10D+00
                    CP:  1.09D+00
 E= -398.517321436291     Delta-E=       -0.000000833065 Rises=F Damp=F
 DIIS: error= 8.22D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.517321436291     IErMin= 7 ErrMin= 8.22D-06
 ErrMax= 8.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.11D-08 BMatP= 9.86D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.188D-03 0.116D-02-0.760D-03-0.311D-01-0.454D-01 0.133D+00
 Coeff-Com:  0.943D+00
 Coeff:      0.188D-03 0.116D-02-0.760D-03-0.311D-01-0.454D-01 0.133D+00
 Coeff:      0.943D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=5.54D-06 MaxDP=2.15D-04 DE=-8.33D-07 OVMax= 1.23D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.01D-06    CP:  1.00D+00  1.18D+00  1.01D+00  1.20D+00  1.13D+00
                    CP:  1.25D+00  1.21D+00
 E= -398.517321525825     Delta-E=       -0.000000089535 Rises=F Damp=F
 DIIS: error= 3.21D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.517321525825     IErMin= 8 ErrMin= 3.21D-06
 ErrMax= 3.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.84D-09 BMatP= 5.11D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.220D-03 0.272D-02 0.278D-02-0.148D-01-0.423D-01-0.168D-01
 Coeff-Com:  0.241D+00 0.828D+00
 Coeff:     -0.220D-03 0.272D-02 0.278D-02-0.148D-01-0.423D-01-0.168D-01
 Coeff:      0.241D+00 0.828D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=1.55D-06 MaxDP=6.59D-05 DE=-8.95D-08 OVMax= 3.19D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.86D-07    CP:  1.00D+00  1.18D+00  1.01D+00  1.20D+00  1.13D+00
                    CP:  1.29D+00  1.28D+00  1.19D+00
 E= -398.517321533050     Delta-E=       -0.000000007225 Rises=F Damp=F
 DIIS: error= 1.25D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.517321533050     IErMin= 9 ErrMin= 1.25D-06
 ErrMax= 1.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.59D-10 BMatP= 4.84D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.853D-04 0.744D-03 0.992D-03-0.197D-02-0.865D-02-0.226D-01
 Coeff-Com: -0.248D-01 0.284D+00 0.773D+00
 Coeff:     -0.853D-04 0.744D-03 0.992D-03-0.197D-02-0.865D-02-0.226D-01
 Coeff:     -0.248D-01 0.284D+00 0.773D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=6.32D-07 MaxDP=3.39D-05 DE=-7.22D-09 OVMax= 1.33D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.13D-07    CP:  1.00D+00  1.18D+00  1.01D+00  1.20D+00  1.13D+00
                    CP:  1.30D+00  1.31D+00  1.33D+00  1.08D+00
 E= -398.517321534101     Delta-E=       -0.000000001051 Rises=F Damp=F
 DIIS: error= 2.82D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.517321534101     IErMin=10 ErrMin= 2.82D-07
 ErrMax= 2.82D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-11 BMatP= 7.59D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.538D-05-0.146D-03-0.982D-04 0.128D-02 0.339D-02-0.304D-02
 Coeff-Com: -0.302D-01-0.425D-01 0.146D+00 0.926D+00
 Coeff:      0.538D-05-0.146D-03-0.982D-04 0.128D-02 0.339D-02-0.304D-02
 Coeff:     -0.302D-01-0.425D-01 0.146D+00 0.926D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=2.21D-07 MaxDP=9.24D-06 DE=-1.05D-09 OVMax= 5.63D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.41D-08    CP:  1.00D+00  1.18D+00  1.01D+00  1.20D+00  1.13D+00
                    CP:  1.30D+00  1.32D+00  1.38D+00  1.19D+00  1.15D+00
 E= -398.517321534226     Delta-E=       -0.000000000126 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.517321534226     IErMin=11 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.32D-12 BMatP= 5.63D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.928D-05-0.103D-03-0.119D-03 0.502D-03 0.162D-02 0.127D-02
 Coeff-Com: -0.463D-02-0.374D-01-0.368D-01 0.206D+00 0.870D+00
 Coeff:      0.928D-05-0.103D-03-0.119D-03 0.502D-03 0.162D-02 0.127D-02
 Coeff:     -0.463D-02-0.374D-01-0.368D-01 0.206D+00 0.870D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=6.95D-08 MaxDP=2.66D-06 DE=-1.26D-10 OVMax= 2.34D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.94D-08    CP:  1.00D+00  1.18D+00  1.01D+00  1.20D+00  1.13D+00
                    CP:  1.31D+00  1.32D+00  1.39D+00  1.23D+00  1.25D+00
                    CP:  1.18D+00
 E= -398.517321534242     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 5.16D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -398.517321534242     IErMin=12 ErrMin= 5.16D-08
 ErrMax= 5.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-12 BMatP= 6.32D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.192D-05-0.876D-05-0.200D-04-0.433D-04-0.439D-04 0.694D-03
 Coeff-Com:  0.294D-02-0.369D-02-0.281D-01-0.787D-01 0.237D+00 0.870D+00
 Coeff:      0.192D-05-0.876D-05-0.200D-04-0.433D-04-0.439D-04 0.694D-03
 Coeff:      0.294D-02-0.369D-02-0.281D-01-0.787D-01 0.237D+00 0.870D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=2.39D-08 MaxDP=8.31D-07 DE=-1.52D-11 OVMax= 1.15D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.24D-08    CP:  1.00D+00  1.18D+00  1.01D+00  1.20D+00  1.13D+00
                    CP:  1.31D+00  1.32D+00  1.39D+00  1.24D+00  1.27D+00
                    CP:  1.29D+00  1.26D+00
 E= -398.517321534257     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 2.68D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -398.517321534257     IErMin=13 ErrMin= 2.68D-08
 ErrMax= 2.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-13 BMatP= 1.14D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.884D-06 0.129D-04 0.129D-04-0.839D-04-0.252D-03-0.238D-04
 Coeff-Com:  0.147D-02 0.463D-02-0.201D-02-0.550D-01-0.615D-01 0.242D+00
 Coeff-Com:  0.871D+00
 Coeff:     -0.884D-06 0.129D-04 0.129D-04-0.839D-04-0.252D-03-0.238D-04
 Coeff:      0.147D-02 0.463D-02-0.201D-02-0.550D-01-0.615D-01 0.242D+00
 Coeff:      0.871D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=8.90D-09 MaxDP=2.75D-07 DE=-1.52D-11 OVMax= 5.47D-07

 SCF Done:  E(RM11) =  -398.517321534     A.U. after   13 cycles
            NFock= 13  Conv=0.89D-08     -V/T= 2.0105
 KE= 3.943587554605D+02 PE=-1.578948534944D+03 EE= 4.627523086856D+02
 Leave Link  502 at Thu Aug 12 21:35:58 2021, MaxMem=  5368709120 cpu:             298.5 elap:              37.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   205
 NBasis=   205 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    205 NOA=    28 NOB=    28 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.29874451D+02

 Leave Link  801 at Thu Aug 12 21:35:59 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4250 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.26D-14 8.33D-09 XBig12= 1.00D+00 2.91D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.26D-14 8.33D-09 XBig12= 1.62D-01 6.58D-02.
     11 vectors produced by pass  2 Test12= 8.26D-14 8.33D-09 XBig12= 2.05D-02 4.28D-02.
     11 vectors produced by pass  3 Test12= 8.26D-14 8.33D-09 XBig12= 1.79D-03 1.08D-02.
     11 vectors produced by pass  4 Test12= 8.26D-14 8.33D-09 XBig12= 7.08D-05 1.74D-03.
     11 vectors produced by pass  5 Test12= 8.26D-14 8.33D-09 XBig12= 2.28D-06 3.19D-04.
     11 vectors produced by pass  6 Test12= 8.26D-14 8.33D-09 XBig12= 6.97D-08 4.19D-05.
     11 vectors produced by pass  7 Test12= 8.26D-14 8.33D-09 XBig12= 1.91D-09 7.75D-06.
     11 vectors produced by pass  8 Test12= 8.26D-14 8.33D-09 XBig12= 4.34D-11 9.96D-07.
     10 vectors produced by pass  9 Test12= 8.26D-14 8.33D-09 XBig12= 7.47D-13 1.09D-07.
      2 vectors produced by pass 10 Test12= 8.26D-14 8.33D-09 XBig12= 1.17D-14 1.51D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.640716D+02
      2 -0.171069D+01  0.617482D+02
      3 -0.183717D+01 -0.267130D+01  0.507580D+02
 Isotropic polarizability for W=    0.088559       58.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.289753D+02 -0.121918D+02 -0.803673D+01
      2   0.183884D+02  0.885460D+01  0.409777D+01
      3   0.105869D+02  0.333720D+01  0.393896D+01
      4  -0.106184D+02  0.848901D+01 -0.147169D+02
      5  -0.930270D+00 -0.158651D+02 -0.146863D+02
      6  -0.666421D+01  0.967551D+01  0.499505D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.240032D+01  0.752848D+00 -0.735685D+00
      2  -0.220514D+01 -0.550577D+01 -0.969972D+01
      3   0.641537D+01 -0.213798D+01  0.379039D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.114819D+01  0.557774D+01 -0.165785D+01
      2  -0.710646D+01 -0.805266D+01 -0.252732D+02
      3   0.157344D+01  0.989941D+01  0.920085D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.114474D+01  0.171984D+00 -0.143047D+01
      2   0.171984D+00  0.108219D+01  0.103771D+01
      3  -0.143047D+01  0.103771D+01  0.747486D+00
 OR G Eigenvalues:    -2.0541     0.5404     2.1987  Iso=    -0.2283
 Eigenvectors:
   (1)   0.835912  -0.213183   0.505772
   (2)   0.473493   0.746135  -0.468067
   (3)  -0.277590   0.630742   0.724644
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2283 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =     -110.16 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21115 ScalPx= 4.51D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.62D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.38D-14 2.78D-09 XBig12= 1.00D+00 2.99D-01.
     30 vectors produced by pass  1 Test12= 1.38D-14 2.78D-09 XBig12= 4.28D-02 5.97D-02.
     30 vectors produced by pass  2 Test12= 1.38D-14 2.78D-09 XBig12= 1.15D-03 5.29D-03.
     30 vectors produced by pass  3 Test12= 1.38D-14 2.78D-09 XBig12= 1.62D-05 6.99D-04.
     30 vectors produced by pass  4 Test12= 1.38D-14 2.78D-09 XBig12= 1.74D-07 4.99D-05.
     30 vectors produced by pass  5 Test12= 1.38D-14 2.78D-09 XBig12= 1.94D-09 5.11D-06.
     30 vectors produced by pass  6 Test12= 1.38D-14 2.78D-09 XBig12= 1.78D-11 4.90D-07.
     30 vectors produced by pass  7 Test12= 1.38D-14 2.78D-09 XBig12= 1.35D-13 3.81D-08.
      1 vectors produced by pass  8 Test12= 1.38D-14 2.78D-09 XBig12= 9.78D-16 2.80D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 1.86D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 1.86D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.640716D+02 -0.171069D+01 -0.183717D+01
      2  -0.171069D+01  0.617482D+02 -0.267130D+01
      3  -0.183717D+01 -0.267130D+01  0.507580D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.240032D+01  0.752848D+00 -0.735685D+00
      2  -0.220514D+01 -0.550577D+01 -0.969972D+01
      3   0.641537D+01 -0.213798D+01  0.379039D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.289753D+02 -0.121918D+02 -0.803673D+01
      2   0.183884D+02  0.885460D+01  0.409777D+01
      3   0.105869D+02  0.333720D+01  0.393896D+01
      4  -0.106184D+02  0.848901D+01 -0.147169D+02
      5  -0.930270D+00 -0.158651D+02 -0.146863D+02
      6  -0.666421D+01  0.967551D+01  0.499505D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.826856D+00 -0.138993D+01 -0.101905D+01 -0.353674D+01 -0.201794D+01
      2  -0.138993D+01 -0.262657D+01 -0.501368D+00 -0.201794D+01  0.510382D+01
      3  -0.101905D+01 -0.501368D+00 -0.231485D+01 -0.676083D+00 -0.381648D+00
                 6             7             8             9            10 
      1  -0.676083D+00 -0.304231D+01 -0.535226D+00 -0.187111D+01  0.348086D+00
      2  -0.381648D+00 -0.535226D+00 -0.107172D+01 -0.151706D+01  0.204238D+01
      3  -0.187271D+01 -0.187111D+01 -0.151706D+01  0.560156D+01  0.200161D+01
                11            12            13            14            15 
      1   0.204238D+01  0.200161D+01  0.344031D+01  0.127038D+01  0.349700D+00
      2   0.142288D+01  0.210937D+00  0.127038D+01 -0.210052D+01 -0.394930D+00
      3   0.210937D+00  0.120684D+01  0.349700D+00 -0.394930D+00  0.269393D+01
                16            17            18            19            20 
      1   0.299719D+01 -0.278406D-01  0.189810D+01  0.105269D+01 -0.140691D+00
      2  -0.278406D-01 -0.308210D-01  0.316081D+01 -0.140691D+00 -0.197402D+01
      3   0.189810D+01  0.316081D+01 -0.565278D+01 -0.128364D+01  0.119669D+01
                21            22            23            24            25 
      1  -0.128364D+01  0.209654D+01 -0.230754D+01  0.125495D+01 -0.866859D-01
      2   0.119669D+01 -0.230754D+01  0.439863D+01 -0.812479D+00  0.157660D+01
      3  -0.824535D-01  0.125495D+01 -0.812479D+00  0.350250D+00 -0.141208D+00
                26            27            28            29            30 
      1   0.157660D+01 -0.141208D+00  0.618689D+01  0.880004D+00 -0.213761D+01
      2  -0.677800D+00 -0.424703D+00  0.880004D+00  0.293084D+01 -0.528007D+00
      3  -0.424703D+00  0.445334D+00 -0.213761D+01 -0.528007D+00  0.139202D+01
                31            32            33            34            35 
      1  -0.163177D+01  0.315068D+01  0.513190D+00 -0.178170D+01 -0.750456D+00
      2   0.315068D+01  0.471302D+00 -0.595470D+00 -0.750456D+00 -0.390906D+00
      3   0.513190D+00 -0.595470D+00  0.504986D-01  0.140508D+01  0.136864D+01
                36            37            38            39            40 
      1   0.140508D+01 -0.700409D+01  0.526837D+00 -0.136552D+01  0.240082D+01
      2   0.136864D+01  0.526837D+00 -0.692985D-01 -0.407693D+00 -0.779519D+00
      3  -0.264272D+01 -0.136552D+01 -0.407693D+00  0.939491D+00 -0.729947D+00
                41            42            43            44            45 
      1  -0.779519D+00 -0.729947D+00 -0.273765D+01 -0.700455D+00  0.429140D+00
      2   0.668542D+00 -0.619793D+00 -0.700455D+00 -0.109530D+01  0.139605D+01
      3  -0.619793D+00  0.182645D+01  0.429140D+00  0.139605D+01 -0.373592D+01
                46            47            48            49            50 
      1   0.399701D+01 -0.515318D+00 -0.126276D-01 -0.482128D+00 -0.329620D+00
      2  -0.515318D+00  0.295471D+00 -0.533766D-01 -0.329620D+00  0.331257D+01
      3  -0.126276D-01 -0.533766D-01 -0.106218D+01 -0.401348D+00 -0.141177D+01
                51            52            53            54            55 
      1  -0.401348D+00  0.400771D-01 -0.316603D+00 -0.113165D+01  0.485849D+01
      2  -0.141177D+01 -0.316603D+00 -0.329552D+01 -0.193431D+01 -0.378944D+01
      3  -0.189612D+01 -0.113165D+01 -0.193431D+01 -0.215927D+01  0.141821D+01
                56            57            58            59            60 
      1  -0.378944D+01  0.141821D+01 -0.518450D+01  0.345634D+01 -0.703389D+00
      2   0.340846D+01 -0.941459D+00  0.345634D+01 -0.106652D+02  0.169328D+01
      3  -0.941459D+00  0.121686D+01 -0.703389D+00  0.169328D+01 -0.249918D+01
                61            62            63            64            65 
      1   0.116124D+01 -0.655884D+00  0.188565D+01 -0.499695D+00 -0.783279D+00
      2  -0.655884D+00  0.124352D+01 -0.278049D+01 -0.783279D+00 -0.532040D+00
      3   0.188565D+01 -0.278049D+01  0.215942D+01  0.118795D+01  0.780005D-01
                66            67            68            69            70 
      1   0.118795D+01 -0.121440D+01 -0.566393D+00  0.193163D+00  0.124863D+01
      2   0.780005D-01 -0.566393D+00 -0.129445D+01  0.166219D+01  0.154901D+00
      3  -0.102320D+01  0.193163D+00  0.166219D+01 -0.194823D+01 -0.918766D+00
                71            72            73            74            75 
      1   0.154901D+00 -0.918766D+00  0.113923D+00  0.392237D+00 -0.101433D+01
      2   0.212890D+01 -0.187829D+01  0.392237D+00  0.343976D+00  0.710475D-01
      3  -0.187829D+01  0.786198D+01 -0.101433D+01  0.710475D-01  0.955645D+00
                76            77            78            79            80 
      1   0.114432D+01  0.394483D+00  0.707410D-01 -0.146720D+01 -0.817040D-01
      2   0.394483D+00  0.924656D-01 -0.104628D+01 -0.817040D-01 -0.119810D+01
      3   0.707410D-01 -0.104628D+01  0.151873D+01  0.133774D+00  0.232123D+00
                81            82            83            84            85 
      1   0.133774D+00  0.814657D+00 -0.105301D+01  0.174772D+00 -0.140131D+01
      2   0.232123D+00 -0.105301D+01  0.950118D+00  0.192137D+00  0.452628D+00
      3  -0.779448D+01  0.174772D+00  0.192137D+00  0.447625D+00  0.850695D-01
                86            87            88            89            90 
      1   0.452628D+00  0.850695D-01  0.889973D+00  0.900612D-01  0.315992D+00
      2  -0.805397D+01 -0.528696D+00  0.900612D-01  0.456189D+00 -0.946844D+00
      3  -0.528696D+00 -0.953517D+00  0.315992D+00 -0.946844D+00 -0.439393D+00
                91            92            93            94            95 
      1  -0.277932D+01  0.158604D+01  0.100143D+01  0.333310D+01 -0.491496D+00
      2   0.158604D+01 -0.129689D+01  0.269405D-01 -0.491496D+00  0.377128D+01
      3   0.100143D+01  0.269405D-01 -0.412407D+00 -0.942788D+00 -0.855916D+00
                96            97            98            99           100 
      1  -0.942788D+00  0.227112D+00 -0.146562D+00  0.204594D+00 -0.601373D+01
      2  -0.855916D+00 -0.146562D+00 -0.823422D+00  0.738727D+00  0.203819D+01
      3   0.138418D+01  0.204594D+00  0.738727D+00 -0.125598D+01 -0.698377D+00
               101           102           103           104           105 
      1   0.203819D+01 -0.698377D+00  0.179953D+01 -0.144647D+01 -0.418582D-01
      2  -0.289912D+01 -0.404179D-01 -0.144647D+01  0.130593D+01 -0.174454D-01
      3  -0.404179D-01 -0.100013D+01 -0.418582D-01 -0.174454D-01  0.498077D+00
               106           107           108           109           110 
      1  -0.145930D+01  0.149464D+00 -0.380952D+00  0.424225D+00  0.786774D+00
      2   0.149464D+00 -0.401610D+00  0.568870D+00  0.786774D+00  0.773423D+00
      3  -0.380952D+00  0.568870D+00 -0.332594D+00  0.516048D+00  0.347809D+00
               111           112           113           114           115 
      1   0.516048D+00  0.742071D+00  0.232202D+00  0.846525D-01  0.770608D+00
      2   0.347809D+00  0.232202D+00  0.398642D+01  0.231313D+01  0.332861D+00
      3   0.119708D+01  0.846525D-01  0.231313D+01  0.256247D+01  0.643038D+00
               116           117           118           119           120 
      1   0.332861D+00  0.643038D+00 -0.232599D+01 -0.580792D+00  0.123114D+01
      2   0.374967D+01  0.332133D+01 -0.580792D+00 -0.727223D+00  0.348763D+00
      3   0.332133D+01  0.385256D+01  0.123114D+01  0.348763D+00 -0.146034D+01
               121           122           123           124           125 
      1  -0.150584D+01 -0.101773D+01  0.943951D+00  0.324001D+01  0.910841D+00
      2  -0.101773D+01 -0.996795D+00  0.995833D+00  0.910841D+00  0.140693D+01
      3   0.943951D+00  0.995833D+00 -0.171483D+01 -0.247168D+01 -0.130487D+01
               126 
      1  -0.247168D+01
      2  -0.130487D+01
      3   0.409227D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.614713D+00  0.114810D+01 -0.148450D+01 -0.968559D+00 -0.559960D+01
      2   0.941599D+00  0.150341D+00  0.176581D+01  0.117908D+01 -0.929601D+00
      3  -0.231333D+01  0.224418D+00  0.506579D+00  0.448561D+01  0.778428D+01
                 6             7             8             9            10 
      1  -0.394761D+01 -0.889597D+00  0.137894D+01  0.600480D+01  0.873509D+00
      2   0.144949D+01 -0.219606D+01  0.392753D+00 -0.664332D+01  0.622893D+01
      3   0.870526D+00  0.112168D+01 -0.270344D+00 -0.160646D-01 -0.688366D+00
                11            12            13            14            15 
      1   0.765995D-01 -0.221586D+00 -0.214615D+01 -0.913572D+00  0.879941D+00
      2   0.193714D+00  0.358756D+01 -0.192261D+01 -0.157749D+00 -0.735760D+00
      3  -0.638384D+01 -0.149816D+01  0.164162D+00 -0.205842D+01  0.164932D+01
                16            17            18            19            20 
      1   0.445945D+00  0.375202D+01  0.389963D+00  0.150807D+01  0.103722D+01
      2  -0.505377D+01  0.113956D+00  0.999679D+00 -0.938270D+01 -0.847734D+00
      3  -0.971621D+00 -0.119711D+00  0.363290D+00  0.687949D+01  0.187070D+01
                21            22            23            24            25 
      1  -0.304806D+01  0.260593D+01  0.604225D+01  0.493240D+01  0.466789D+00
      2  -0.390771D+01 -0.423285D+01 -0.715875D+00  0.411802D+01 -0.134617D+02
      3   0.464448D+00  0.434552D+01 -0.103433D+02 -0.176239D+01  0.310603D+01
                26            27            28            29            30 
      1   0.583310D+01 -0.647120D+01  0.253177D+01 -0.440526D+01 -0.245262D+01
      2   0.177741D+01  0.462200D+01  0.373794D+01 -0.277614D+01  0.606709D+01
      3  -0.155108D+01 -0.118455D+01  0.686577D+01 -0.128451D+02 -0.501256D+00
                31            32            33            34            35 
      1  -0.455318D+01  0.134907D+01 -0.232458D+01 -0.129803D+01  0.297938D+01
      2  -0.918936D+00  0.704072D+00 -0.155598D-02  0.285434D+01  0.152914D+01
      3  -0.832730D+01  0.395768D+01  0.311939D+01 -0.209440D+01  0.154167D+01
                36            37            38            39            40 
      1   0.212362D+01 -0.570082D+00 -0.492613D-01 -0.459933D-01  0.135951D+01
      2  -0.584354D+01  0.136049D+01  0.202185D+01  0.307499D+01  0.204488D+01
      3  -0.169833D+01  0.672905D+01 -0.714692D+01 -0.177434D+01  0.109614D+01
                41            42            43            44            45 
      1   0.512059D+00 -0.205422D+01 -0.848225D+00  0.211733D+01 -0.214692D+01
      2   0.169002D+01 -0.507720D+01 -0.697279D+01 -0.401890D+01  0.109812D+02
      3   0.426036D+01 -0.213756D+01 -0.157586D+01 -0.320607D+01  0.413910D+01
                46            47            48            49            50 
      1  -0.137904D+01  0.367768D+00  0.196724D+01  0.107601D+01  0.642907D+01
      2  -0.560133D+00 -0.135033D+00  0.343483D+01  0.237695D+00  0.537311D+00
      3   0.108847D+02 -0.707382D+01  0.115069D+01  0.372973D+01  0.853203D+00
                51            52            53            54            55 
      1  -0.190746D+01  0.158851D+01  0.874168D+01  0.559047D+01 -0.657225D+00
      2   0.817903D+00 -0.342003D+01  0.596918D+00  0.961778D-01  0.141624D+01
      3  -0.130639D+01  0.154624D+01 -0.644445D+00 -0.265580D+01 -0.115790D+01
                56            57            58            59            60 
      1   0.136966D+01  0.434776D+01 -0.190655D+00 -0.269107D+01 -0.912606D+01
      2  -0.317457D+00  0.635176D+01  0.395246D+01  0.210220D+01 -0.592437D+01
      3  -0.729267D+01  0.927013D+00  0.533146D+01  0.168911D+02 -0.159671D+01
                61            62            63            64            65 
      1  -0.151351D+00  0.227709D+01  0.231674D+01 -0.210159D+00 -0.496850D+00
      2   0.180030D+01 -0.439143D+01  0.198283D+01  0.326349D-01  0.124316D+00
      3  -0.826489D+00 -0.142407D+01  0.446958D+01 -0.802971D+00 -0.407909D+00
                66            67            68            69            70 
      1  -0.163187D+00  0.147281D+00 -0.142264D+01 -0.267856D+00 -0.198367D+00
      2   0.507810D+00  0.814370D+00  0.780786D-02  0.641111D+00 -0.275522D+01
      3   0.351943D+00  0.190138D+01 -0.219959D+00  0.779585D-01 -0.752187D+00
                71            72            73            74            75 
      1   0.349471D+01  0.707843D+00 -0.146880D+01 -0.662747D+00  0.552197D+00
      2   0.481601D+00 -0.127636D+01  0.197141D+01  0.282284D+00 -0.973056D+00
      3   0.926319D+00 -0.359403D+00  0.177678D+00 -0.720403D+00  0.688728D+00
                76            77            78            79            80 
      1  -0.399461D+00 -0.127448D+01  0.108406D+01  0.264830D+00  0.347046D+01
      2   0.106155D+01  0.160132D+01 -0.169947D+01 -0.391247D+01 -0.511384D+00
      3   0.368379D+00 -0.101882D+00 -0.120856D+01  0.712842D+00 -0.984414D+00
                81            82            83            84            85 
      1  -0.636726D+01  0.133507D+01 -0.399910D+00  0.615320D+00 -0.221376D+00
      2   0.850029D+01  0.357048D+00 -0.600130D+00  0.431316D+00 -0.905134D+00
      3  -0.505993D-01 -0.378521D+01  0.153209D+01 -0.301025D+00  0.492018D+01
                86            87            88            89            90 
      1   0.437827D+01 -0.306492D+01  0.433900D+00 -0.451158D+00  0.881053D-01
      2   0.128934D+01  0.854515D+00 -0.830330D+00  0.928031D+00  0.621124D+00
      3  -0.893442D+01 -0.675306D+00 -0.122516D+01  0.273858D+00 -0.133186D+01
                91            92            93            94            95 
      1  -0.375028D+01  0.379696D+01  0.423434D+00  0.419897D+01 -0.286676D+01
      2  -0.375538D+01  0.252165D+01 -0.162198D+01  0.191359D+01 -0.292378D+01
      3  -0.868374D+01  0.849155D+01  0.154277D+01  0.102327D+02 -0.103281D+02
                96            97            98            99           100 
      1  -0.206206D+01  0.677905D-01  0.737035D+00  0.110563D+01  0.240359D+01
      2   0.204367D+01 -0.187397D+01  0.155441D+01  0.113822D+00  0.937356D+00
      3  -0.734899D+00  0.102051D+01 -0.751662D-01 -0.652748D+00 -0.129682D+02
               101           102           103           104           105 
      1  -0.913039D+00  0.246511D+01 -0.137436D+00  0.756517D+00 -0.943386D+00
      2  -0.422279D+00  0.189941D+01 -0.698755D-01  0.431988D+00 -0.746727D+00
      3   0.728739D-01 -0.163591D+01  0.222333D+01 -0.198680D+01 -0.505678D+00
               106           107           108           109           110 
      1   0.455096D+00 -0.336706D+00  0.842370D+00 -0.382100D+00 -0.822523D+00
      2  -0.363389D+00 -0.464930D+00  0.376095D+00 -0.346932D+00 -0.135797D+00
      3  -0.333308D+01 -0.739293D-01  0.212018D-01  0.830878D+00  0.994589D+00
               111           112           113           114           115 
      1  -0.252361D+01 -0.325345D-02 -0.318325D+01 -0.541069D+01 -0.110328D+01
      2  -0.237419D+00 -0.522274D+00 -0.797465D+00 -0.838710D+00 -0.185411D+01
      3   0.480295D+00  0.261897D+01  0.136287D+01  0.751227D+00  0.186178D+01
               116           117           118           119           120 
      1  -0.413357D+01 -0.724588D+01  0.380401D+00 -0.467223D-01 -0.431504D+00
      2  -0.101300D+01 -0.973766D+00 -0.385589D+01 -0.139434D+01  0.500367D+01
      3   0.148415D+01  0.228526D+01 -0.111631D+01 -0.219234D+01  0.935615D+00
               121           122           123           124           125 
      1   0.149739D+00 -0.181111D+00 -0.117164D+01 -0.855654D-01  0.101648D+01
      2  -0.263195D+01 -0.283959D+01  0.509909D+01  0.600463D+01  0.388030D+01
      3  -0.105571D+01 -0.199148D+01  0.254043D+01  0.140972D+01  0.412324D+01
               126 
      1   0.172432D+01
      2  -0.126376D+02
      3  -0.332907D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.181218D+02 -0.137061D+01 -0.174235D+01  0.456233D+01  0.151564D+02
      2   0.864452D+01  0.414639D+01 -0.152830D+01 -0.603415D+00 -0.206431D+02
      3   0.947729D+01 -0.277577D+01  0.327064D+01 -0.395891D+01  0.548666D+01
      4   0.142437D+01 -0.194633D-01  0.133764D+01  0.779603D+01 -0.677745D+01
      5  -0.362875D+00  0.377553D+00 -0.192667D+01  0.146567D+01  0.951622D+00
      6   0.265397D+01  0.200216D+01  0.226072D+01  0.145864D+01 -0.423406D+00
                 6             7             8             9            10 
      1  -0.437052D+00  0.401856D+01 -0.283289D+00  0.126622D+02 -0.430584D+01
      2  -0.230141D+01 -0.274228D+01 -0.116740D+01  0.385957D+01  0.391005D+01
      3   0.273847D+01 -0.127628D+01  0.145069D+01 -0.165218D+02  0.395799D+00
      4   0.739516D+00  0.438933D+01  0.288265D+01  0.550555D+01 -0.433448D+01
      5   0.291656D+01  0.481799D+01  0.240045D+01 -0.998662D+01  0.517124D+00
      6   0.253697D+01  0.251854D+01  0.151238D+01 -0.240615D+01 -0.976007D+00
                11            12            13            14            15 
      1  -0.184717D+01 -0.950789D+00  0.102882D+01  0.400126D+01 -0.467231D+01
      2   0.339121D+01 -0.973333D+00  0.100112D+01 -0.348160D+01 -0.344367D+01
      3  -0.154404D+01  0.192412D+01 -0.202994D+01 -0.519658D+00  0.811598D+01
      4   0.201320D+01 -0.286034D+01 -0.786694D+01 -0.149604D+00  0.112680D+01
      5  -0.959497D+00  0.176056D+01  0.316393D+00  0.135991D+01 -0.168587D+01
      6  -0.160019D+01 -0.710789D-01  0.176385D+01  0.924615D+00 -0.818625D+01
                16            17            18            19            20 
      1  -0.373723D+01 -0.387896D+01  0.334413D+01 -0.265966D+01 -0.592007D+01
      2  -0.848312D+00 -0.321871D+01  0.116196D+02 -0.141448D+01  0.864730D+01
      3   0.458554D+01  0.709767D+01 -0.149637D+02  0.407414D+01 -0.272723D+01
      4  -0.276743D+01 -0.212158D+01 -0.391444D+01  0.704850D+01 -0.152956D+02
      5  -0.209453D+01 -0.222121D+01  0.686641D+01 -0.160123D+01  0.654496D+01
      6  -0.275843D+01 -0.957281D-01  0.517207D+01  0.935624D+00  0.145147D+00
                21            22            23            24            25 
      1  -0.102432D+01  0.522555D+01  0.231612D+00  0.109286D+00 -0.300720D+01
      2  -0.313738D+01 -0.172639D+01 -0.127913D+02 -0.564024D+01  0.546975D+00
      3   0.416170D+01 -0.349916D+01  0.125597D+02  0.553096D+01  0.246022D+01
      4   0.548480D+01 -0.220948D+02  0.204863D+02 -0.321786D+01  0.930334D+01
      5  -0.869904D+01  0.100044D+02 -0.423160D+01  0.724450D+01 -0.205291D+01
      6   0.368231D+01 -0.939320D+00  0.445055D+01 -0.855532D+01  0.863433D+00
                26            27            28            29            30 
      1   0.288248D+01 -0.366338D+01  0.294355D+02  0.349154D+01 -0.481869D+01
      2   0.318263D+01 -0.184762D+01 -0.180649D+02  0.114666D+01  0.724450D+01
      3  -0.606511D+01  0.551100D+01 -0.113706D+02 -0.463820D+01 -0.242581D+01
      4   0.130621D+01  0.277007D+01  0.164356D+02  0.164992D+02 -0.553048D+01
      5   0.169422D+01  0.299298D+01 -0.103148D+02 -0.407986D+01  0.138068D+02
      6   0.335037D+01  0.526461D+01 -0.296403D+01 -0.205008D+01  0.428775D+01
                31            32            33            34            35 
      1  -0.502646D+01  0.588479D+01  0.206884D+01 -0.439663D+00  0.285368D-03
      2   0.685336D+01  0.149686D+01 -0.721584D-01  0.221996D+01  0.317581D+00
      3  -0.182690D+01 -0.738166D+01 -0.199668D+01 -0.178030D+01 -0.317866D+00
      4   0.136887D+02  0.882149D+01 -0.178279D+01 -0.486087D+01 -0.422442D+01
      5  -0.139977D+01 -0.357267D+01  0.143513D+01  0.130776D+02  0.573654D+01
      6  -0.563665D+00 -0.215758D+01  0.744920D+01  0.246137D+01  0.620573D+01
                36            37            38            39            40 
      1   0.696505D-01  0.471392D+02 -0.249658D+01  0.656294D+01 -0.120452D+02
      2  -0.945158D+01 -0.242604D+02  0.112024D+01 -0.333657D+01  0.786732D+01
      3   0.938193D+01 -0.228789D+02  0.137633D+01 -0.322637D+01  0.417791D+01
      4   0.642882D+01  0.199886D+01  0.104445D+02  0.439002D+01  0.727499D+01
      5  -0.135027D+02  0.931860D+01  0.326903D+01  0.556777D+01  0.366870D+01
      6  -0.434111D+01  0.147239D+01  0.672036D+00 -0.897449D+00  0.241189D+01
                41            42            43            44            45 
      1   0.139549D+01  0.284661D+01  0.103184D+02  0.224155D+01 -0.408698D+01
      2   0.385737D+01 -0.957732D+00 -0.704234D+01 -0.472696D+00 -0.195247D+01
      3  -0.525287D+01 -0.188888D+01 -0.327604D+01 -0.176885D+01  0.603945D+01
      4  -0.296553D+01  0.473995D+01  0.641655D+01  0.578145D+01 -0.792993D+01
      5   0.461108D+01 -0.872282D+01  0.134403D+01 -0.755735D+01  0.195166D+02
      6   0.194532D+01  0.164906D+01 -0.179893D+01  0.180224D+01  0.549187D+01
                46            47            48            49            50 
      1   0.628601D+00  0.322492D+01 -0.204136D+01  0.178154D+01 -0.113080D+02
      2  -0.291374D+01 -0.101203D+01  0.230547D+01 -0.142100D+01  0.210781D+02
      3   0.228514D+01 -0.221289D+01 -0.264109D+00 -0.360543D+00 -0.977005D+01
      4   0.127453D+02 -0.214968D+01  0.973818D+00  0.410220D+01 -0.179936D+01
      5  -0.123917D+01 -0.615546D+00  0.544761D+01 -0.419932D+00 -0.786659D-01
      6   0.149754D+01 -0.965558D+00 -0.465856D+01 -0.357832D+01 -0.100323D+02
                51            52            53            54            55 
      1   0.724961D+01 -0.502462D+00  0.925277D+01  0.477786D+01  0.222853D+02
      2  -0.569797D+01  0.197553D+01 -0.924959D+01 -0.866212D+01 -0.801001D+01
      3  -0.155164D+01 -0.147307D+01 -0.317788D-02  0.388426D+01 -0.142753D+02
      4  -0.122244D+01  0.182612D+01  0.133134D+01 -0.154934D+01 -0.233356D+02
      5   0.820548D+00  0.440149D+01  0.700096D+00 -0.854781D+00  0.878501D+01
      6  -0.705796D-01 -0.362583D+01 -0.677543D+01 -0.126705D+02 -0.248655D+01
                56            57            58            59            60 
      1  -0.812597D+01  0.297338D+01 -0.947226D+01 -0.995405D+01  0.191297D+01
      2  -0.279826D+01 -0.241807D+01 -0.139678D+01  0.305393D+02 -0.871905D-01
      3   0.109242D+02 -0.555308D+00  0.108690D+02 -0.205852D+02 -0.182578D+01
      4   0.250834D+02 -0.544712D+01  0.286571D+02 -0.432661D+02  0.705889D+01
      5  -0.620998D+01  0.129402D+02 -0.578030D+01  0.906705D+01 -0.128008D+02
      6   0.187526D+01 -0.591890D+01  0.376650D+01 -0.523254D+01  0.137596D+02
                61            62            63            64            65 
      1   0.373005D+01  0.144000D+01 -0.136940D+01  0.489165D+00  0.481249D+00
      2  -0.227120D+01 -0.142392D+01 -0.174291D+01 -0.410621D+01 -0.114225D+01
      3  -0.145885D+01 -0.160871D-01  0.311231D+01  0.361705D+01  0.661005D+00
      4  -0.473236D+01  0.463867D+01 -0.117518D+02  0.122034D+01  0.204213D+01
      5   0.132590D+02 -0.115828D+02  0.926549D+01 -0.269062D+01 -0.154918D+01
      6  -0.584669D+01  0.115495D+02 -0.568996D+01 -0.159051D+01 -0.551344D+00
                66            67            68            69            70 
      1  -0.239007D+00 -0.183594D+00 -0.397630D+01  0.364198D+01  0.105918D+01
      2   0.193954D+01 -0.104942D+01 -0.893114D+00  0.256518D+01  0.228501D+01
      3  -0.170054D+01  0.123301D+01  0.486942D+01 -0.620716D+01 -0.334419D+01
      4  -0.965543D+00  0.364913D+01  0.182140D+01 -0.176999D+01 -0.122251D+01
      5   0.684892D+01 -0.188629D+01 -0.180686D+01  0.240847D+01  0.593685D+01
      6   0.570184D+00 -0.127750D+01 -0.488264D+01  0.829922D+01  0.141823D+01
                71            72            73            74            75 
      1   0.282670D+01 -0.158266D+02  0.276549D+00 -0.633800D+00  0.402556D+01
      2   0.434506D+01 -0.164476D+02 -0.348084D+01 -0.214150D-01 -0.260256D+00
      3  -0.717176D+01  0.322742D+02  0.320429D+01  0.655215D+00 -0.376531D+01
      4  -0.145701D+01  0.205545D+01 -0.741182D+00  0.208048D+00  0.720333D+00
      5   0.161752D+01 -0.698153D+01  0.936750D+00 -0.477981D+00  0.420086D+01
      6   0.621355D+01 -0.736705D+01  0.102999D+00 -0.844399D+00 -0.719055D+00
                76            77            78            79            80 
      1  -0.234810D+01 -0.431077D+01  0.168799D+01  0.464840D+01  0.114453D+00
      2   0.105893D+01  0.157061D+01  0.270090D+01 -0.175120D+01  0.187228D+01
      3   0.128917D+01  0.274016D+01 -0.438889D+01 -0.289720D+01 -0.198674D+01
      4  -0.773823D+00 -0.645703D+00  0.243316D+01  0.132116D+01  0.217690D+01
      5  -0.694352D+00  0.200520D+01 -0.285829D+01  0.431706D+01 -0.437332D+00
      6   0.663344D-02 -0.810155D+00  0.383582D+01 -0.109386D+00  0.423362D+01
                81            82            83            84            85 
      1  -0.171214D+02 -0.149805D+01  0.495380D+01  0.150800D+00  0.536138D+01
      2  -0.126921D+02  0.414176D+01 -0.452840D+01  0.212238D+00 -0.399079D+01
      3   0.298135D+02 -0.264370D+01 -0.425399D+00 -0.363038D+00 -0.137060D+01
      4  -0.201002D+01  0.836497D+00  0.392293D+01 -0.126328D+00  0.444217D+01
      5   0.140171D+02 -0.501589D+00  0.699250D+00  0.512305D+00  0.751093D+00
      6   0.531940D+01  0.176781D+00 -0.683416D+00 -0.843302D+00 -0.462134D+00
                86            87            88            89            90 
      1  -0.209608D+02 -0.204130D+01 -0.139782D+01  0.216901D+00 -0.476270D+01
      2   0.340177D+02  0.129906D+01  0.121104D+01 -0.135981D+01  0.296474D+01
      3  -0.130569D+02  0.742245D+00  0.186782D+00  0.114291D+01  0.179796D+01
      4   0.143886D+02  0.743864D+00 -0.782971D+00 -0.109579D+01  0.113722D+01
      5   0.200446D+00  0.163552D+01  0.264306D+00  0.185996D+01  0.706276D+00
      6   0.511251D+01  0.543528D+01 -0.759523D+00  0.567138D+01  0.330225D+00
                91            92            93            94            95 
      1  -0.106139D+02  0.385432D+01  0.967874D+00  0.907882D+01 -0.768921D+01
      2   0.865051D+01 -0.159523D+01 -0.257239D+01 -0.525936D+01  0.924149D+01
      3   0.196335D+01 -0.225909D+01  0.160451D+01 -0.381946D+01 -0.155228D+01
      4  -0.169192D+01 -0.224283D+01  0.207274D+01  0.475372D+01  0.996316D+01
      5   0.281809D+01  0.504634D+00 -0.348688D+01 -0.245920D+01 -0.180030D+01
      6   0.217986D+01  0.412262D+00  0.221963D-01 -0.228294D+01 -0.442431D+01
                96            97            98            99           100 
      1   0.783558D+00  0.115282D+01  0.237378D+01 -0.279961D+01  0.110725D+02
      2  -0.371979D+00 -0.882784D+00 -0.205733D+01  0.118728D+01 -0.788666D+00
      3  -0.411579D+00 -0.270041D+00 -0.316454D+00  0.161232D+01 -0.102838D+02
      4  -0.391553D+01  0.316146D+00 -0.135715D+01  0.127659D+01 -0.195502D+02
      5   0.408454D+01  0.872627D+00  0.134741D+01 -0.668398D+00 -0.652870D+00
      6   0.367860D+01  0.200424D+00  0.336086D+01 -0.366910D+01 -0.167029D+01
               101           102           103           104           105 
      1   0.796388D+00  0.243888D+01 -0.945943D+00  0.565707D+00 -0.105245D+00
      2  -0.678952D+01 -0.496633D+00 -0.301439D+01  0.326789D+01 -0.318030D+00
      3   0.599313D+01 -0.194225D+01  0.396033D+01 -0.383360D+01  0.423275D+00
      4   0.124295D+02 -0.196704D+01  0.902897D+01 -0.604061D+01  0.401657D+00
      5   0.454886D+00  0.236572D+01  0.622260D+00 -0.951865D-01 -0.992128D+00
      6  -0.886975D+00 -0.376995D+01 -0.374492D+00  0.243285D+00  0.228452D+01
               106           107           108           109           110 
      1   0.104795D+01 -0.205505D+00  0.297713D+00 -0.135251D+01 -0.223938D+01
      2  -0.370479D+00 -0.560945D+00 -0.147577D+00  0.153670D+01  0.206701D+01
      3  -0.677471D+00  0.766450D+00 -0.150136D+00 -0.184193D+00  0.172367D+00
      4  -0.394287D+01  0.861150D+00 -0.182942D+01  0.513438D+00  0.403279D+01
      5   0.270854D+01 -0.124188D+01  0.288523D+00  0.591856D+00  0.201737D+01
      6  -0.128888D+01  0.275058D+01 -0.984100D+00  0.292206D+01  0.303557D+01
               111           112           113           114           115 
      1  -0.203811D+01 -0.168327D+01 -0.127399D+02 -0.818660D+01 -0.189870D+01
      2   0.659040D+00  0.131899D+01  0.151003D+02  0.809373D+01  0.554032D+00
      3   0.137907D+01  0.364281D+00 -0.236040D+01  0.928742D-01  0.134467D+01
      4   0.290889D+01  0.372544D+01 -0.150403D+01 -0.633170D+00  0.288928D+01
      5   0.214246D+01  0.931313D+00 -0.112701D+01 -0.174834D+01  0.224823D+01
      6   0.448312D+01  0.785062D+00  0.153646D+02  0.144075D+02  0.273696D+01
               116           117           118           119           120 
      1  -0.125544D+02 -0.133768D+02  0.126537D+02  0.355045D+01 -0.671438D+01
      2   0.104974D+02  0.644647D+01 -0.655872D+01 -0.149125D+01  0.358693D+01
      3   0.205696D+01  0.693034D+01 -0.609494D+01 -0.205920D+01  0.312746D+01
      4  -0.999720D+00  0.441996D+00  0.571981D+01  0.478009D+01 -0.366270D+01
      5  -0.168523D+01 -0.110206D+01 -0.744145D+01 -0.264694D+01  0.927741D+01
      6   0.185192D+02  0.194052D+02 -0.225385D+01 -0.560477D+00  0.157200D+01
               121           122           123           124           125 
      1   0.580686D+01  0.253833D+01 -0.307747D+01 -0.137675D+02 -0.264591D+01
      2  -0.191911D+01 -0.295359D-01  0.669786D+00  0.834082D+01  0.107628D+01
      3  -0.388775D+01 -0.250879D+01  0.240769D+01  0.542667D+01  0.156963D+01
      4   0.768871D+01  0.595677D+01 -0.653923D+01 -0.815292D+01 -0.772269D+01
      5  -0.511994D+01 -0.548301D+01  0.826303D+01  0.149713D+02  0.765895D+01
      6  -0.255138D+01 -0.274919D+01  0.423446D+01  0.427802D+01  0.345000D+01
               126 
      1   0.801664D+01
      2  -0.697238D+01
      3  -0.104426D+01
      4   0.936921D+01
      5  -0.223944D+02
      6  -0.652677D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:41:47 2021, MaxMem=  5368709120 cpu:            2780.6 elap:             348.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50615 -19.49453 -19.45505 -14.64015 -10.58160
 Alpha  occ. eigenvalues --  -10.51533 -10.50497  -1.23902  -1.17926  -1.14800
 Alpha  occ. eigenvalues --   -1.05426  -0.89569  -0.79571  -0.73325  -0.67282
 Alpha  occ. eigenvalues --   -0.66783  -0.65514  -0.61037  -0.57909  -0.56924
 Alpha  occ. eigenvalues --   -0.55765  -0.53747  -0.50111  -0.47694  -0.43831
 Alpha  occ. eigenvalues --   -0.43668  -0.41437  -0.38464
 Alpha virt. eigenvalues --    0.02940   0.04901   0.06102   0.06864   0.08361
 Alpha virt. eigenvalues --    0.08774   0.09791   0.10931   0.11324   0.13041
 Alpha virt. eigenvalues --    0.14459   0.15027   0.15337   0.16691   0.17761
 Alpha virt. eigenvalues --    0.19042   0.20349   0.21420   0.22549   0.23128
 Alpha virt. eigenvalues --    0.24417   0.25055   0.25659   0.26791   0.28562
 Alpha virt. eigenvalues --    0.29157   0.29743   0.30534   0.32259   0.33042
 Alpha virt. eigenvalues --    0.34378   0.34914   0.35755   0.36229   0.37749
 Alpha virt. eigenvalues --    0.37929   0.39109   0.39816   0.40283   0.41438
 Alpha virt. eigenvalues --    0.42005   0.42495   0.44012   0.45304   0.45765
 Alpha virt. eigenvalues --    0.46849   0.48206   0.48779   0.49469   0.50708
 Alpha virt. eigenvalues --    0.51424   0.52273   0.53059   0.53762   0.54807
 Alpha virt. eigenvalues --    0.55186   0.56216   0.57464   0.58899   0.59404
 Alpha virt. eigenvalues --    0.60064   0.60831   0.62281   0.63484   0.64166
 Alpha virt. eigenvalues --    0.65344   0.66583   0.68187   0.68700   0.69934
 Alpha virt. eigenvalues --    0.70974   0.71380   0.72617   0.73237   0.75254
 Alpha virt. eigenvalues --    0.76419   0.77900   0.80876   0.81350   0.82822
 Alpha virt. eigenvalues --    0.83497   0.84630   0.85961   0.87296   0.91594
 Alpha virt. eigenvalues --    0.96037   0.96969   0.99114   1.04729   1.05266
 Alpha virt. eigenvalues --    1.06741   1.07663   1.09195   1.09884   1.13131
 Alpha virt. eigenvalues --    1.14264   1.18638   1.20770   1.21463   1.24188
 Alpha virt. eigenvalues --    1.26174   1.27835   1.34665   1.36606   1.40512
 Alpha virt. eigenvalues --    1.45679   1.51931   1.53383   1.55388   1.56318
 Alpha virt. eigenvalues --    1.59347   1.62131   1.65332   1.67549   1.69560
 Alpha virt. eigenvalues --    1.73450   1.74469   1.77821   1.81291   1.83449
 Alpha virt. eigenvalues --    1.83522   1.87717   1.90047   1.93577   1.94409
 Alpha virt. eigenvalues --    1.95661   1.96661   1.99647   2.03788   2.04416
 Alpha virt. eigenvalues --    2.08426   2.09172   2.10768   2.12603   2.14191
 Alpha virt. eigenvalues --    2.16885   2.18581   2.21638   2.23642   2.25249
 Alpha virt. eigenvalues --    2.27688   2.29507   2.32611   2.38038   2.39040
 Alpha virt. eigenvalues --    2.41746   2.44535   2.45767   2.50733   2.56890
 Alpha virt. eigenvalues --    2.57461   2.60148   2.68720   2.78367   2.88968
 Alpha virt. eigenvalues --    2.92066   2.96078   2.97105   3.03344   3.03916
 Alpha virt. eigenvalues --    3.06820   3.10799   3.13619   3.15476   3.18342
 Alpha virt. eigenvalues --    3.21860   3.24489   3.29680   3.35204   3.43923
 Alpha virt. eigenvalues --    3.52241   3.54741   3.61883   3.68078   3.88718
 Alpha virt. eigenvalues --    3.95613   4.00639
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.306277   0.205255   0.010012  -0.008937   0.312988  -0.042833
     2  C    0.205255   6.073127  -0.429249  -0.027764  -0.068153  -0.090357
     3  C    0.010012  -0.429249   5.713470   0.236376  -0.004630  -0.002273
     4  O   -0.008937  -0.027764   0.236376   7.827732   0.000473  -0.054140
     5  O    0.312988  -0.068153  -0.004630   0.000473   7.876184  -0.000371
     6  N   -0.042833  -0.090357  -0.002273  -0.054140  -0.000371   7.229617
     7  O   -0.026017   0.011055   0.404238   0.019207   0.005515   0.005847
     8  H    0.007048   0.307279   0.000260  -0.007517   0.005774  -0.093092
     9  H    0.387184   0.107238  -0.028029   0.006440  -0.045750  -0.066302
    10  H    0.320069  -0.070518   0.009842  -0.008377  -0.001876   0.033335
    11  H   -0.010904  -0.063979   0.115381   0.221741   0.002344  -0.019781
    12  H   -0.034203   0.050655   0.000481   0.003727   0.016336   0.063948
    13  H    0.015134   0.161053  -0.000844   0.005166  -0.003722   0.128894
    14  H    0.014442   0.007620   0.001777   0.000350   0.298371  -0.000545
               7          8          9         10         11         12
     1  C   -0.026017   0.007048   0.387184   0.320069  -0.010904  -0.034203
     2  C    0.011055   0.307279   0.107238  -0.070518  -0.063979   0.050655
     3  C    0.404238   0.000260  -0.028029   0.009842   0.115381   0.000481
     4  O    0.019207  -0.007517   0.006440  -0.008377   0.221741   0.003727
     5  O    0.005515   0.005774  -0.045750  -0.001876   0.002344   0.016336
     6  N    0.005847  -0.093092  -0.066302   0.033335  -0.019781   0.063948
     7  O    7.844781  -0.016259   0.000367  -0.015209  -0.019446  -0.000939
     8  H   -0.016259   0.865387   0.015894  -0.007597   0.018541   0.074034
     9  H    0.000367   0.015894   0.863495  -0.130062  -0.001907   0.004288
    10  H   -0.015209  -0.007597  -0.130062   0.910412   0.002456   0.006947
    11  H   -0.019446   0.018541  -0.001907   0.002456   0.472937   0.014962
    12  H   -0.000939   0.074034   0.004288   0.006947   0.014962   0.820910
    13  H   -0.000885  -0.072587   0.001924  -0.006552  -0.030453  -0.149333
    14  H   -0.000145  -0.022254   0.013664  -0.040162  -0.000823  -0.008925
              13         14
     1  C    0.015134   0.014442
     2  C    0.161053   0.007620
     3  C   -0.000844   0.001777
     4  O    0.005166   0.000350
     5  O   -0.003722   0.298371
     6  N    0.128894  -0.000545
     7  O   -0.000885  -0.000145
     8  H   -0.072587  -0.022254
     9  H    0.001924   0.013664
    10  H   -0.006552  -0.040162
    11  H   -0.030453  -0.000823
    12  H   -0.149333  -0.008925
    13  H    0.853113   0.003450
    14  H    0.003450   0.491189
 Mulliken charges:
               1
     1  C    0.544486
     2  C   -0.173262
     3  C   -0.026813
     4  O   -0.214478
     5  O   -0.393484
     6  N   -0.091948
     7  O   -0.212109
     8  H   -0.074911
     9  H   -0.128447
    10  H   -0.002707
    11  H    0.298931
    12  H    0.137112
    13  H    0.095641
    14  H    0.241990
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.413331
     2  C   -0.248173
     3  C   -0.026813
     4  O    0.084453
     5  O   -0.151493
     6  N    0.140805
     7  O   -0.212109
 Electronic spatial extent (au):  <R**2>=            812.6833
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.6357    Y=              2.1099    Z=              1.8386  Tot=              4.5881
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.6571   YY=            -41.0090   ZZ=            -39.2553
   XY=              5.3095   XZ=             -3.6326   YZ=              2.2109
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.6833   YY=              2.9648   ZZ=              4.7185
   XY=              5.3095   XZ=             -3.6326   YZ=              2.2109
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.8215  YYY=             11.6166  ZZZ=              2.0267  XYY=            -11.2744
  XXY=              3.7048  XXZ=             13.5482  XZZ=             -3.9792  YZZ=              2.8182
  YYZ=              2.3517  XYZ=              4.9608
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -669.9244 YYYY=           -254.2243 ZZZZ=            -94.5995 XXXY=             20.4752
 XXXZ=            -35.2311 YYYX=             12.8704 YYYZ=             10.7082 ZZZX=             -2.6706
 ZZZY=              2.1197 XXYY=           -146.3313 XXZZ=           -117.1431 YYZZ=            -54.8368
 XXYZ=             -6.4713 YYXZ=             -9.0529 ZZXY=              4.3225
 N-N= 3.233201492639D+02 E-N=-1.578948534194D+03  KE= 3.943587554605D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:41:48 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.40490352D+00 8.25059592D-01 6.96984983D-01
 Polarizability= 6.00535858D+01-1.74616698D+00 5.74968900D+01
                -2.03350776D+00-2.55419927D+00 4.66994175D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.9174    0.9186       -0.8516   -0.8553
 2     -0.9174   -0.9186        1.3348    1.3356       -1.1578   -1.1617
 3      0.8516    0.8553        6.6505    6.6568       -1.3374   -1.3356
 4     -1.3348   -1.3356        0.0000    0.0000        0.8549    0.8553
 5     -5.4927   -5.4951       -0.8549   -0.8553        0.9187    0.9186
 6      1.3374    1.3356       -0.9187   -0.9186        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.7558   -2.7558       -2.5660   -2.5660
 2     -4.0069   -4.0069        0.0000    0.0000       -2.5660   -2.5660
 3     -4.0069   -4.0069       -2.7558   -2.7558       -0.0000    0.0000
 4     -2.7558   -2.7558        4.0069    4.0069       -3.4851   -3.4851
 5      2.5660    2.5660       19.9703   19.9703       -4.0069   -4.0069
 6    -16.4853  -16.4853       -2.5660   -2.5660        2.7558    2.7558
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1274    0.0000       -3.6730   -3.6743        3.4739    3.4214
 2      3.8335    3.6743       -5.3717   -5.3426        4.6405    4.6467
 3     -3.7179   -3.4214      -26.5733  -26.6271        5.4528    5.3426
 4      5.2708    5.3426       -0.1609    0.0000       -3.5751   -3.4214
 5     22.0393   21.9804        3.6638    3.4214       -3.4427   -3.6743
 6     -5.3263   -5.3426        3.6870    3.6743       -0.0467    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2265    0.0000        5.7234    5.6797        1.5307    1.4523
 2     -5.4231   -5.6797      -11.8899  -11.8377       15.6512   15.8122
 3     -1.5219   -1.4523        2.6086    2.7801       11.7143   11.8377
 4     11.8680   11.8377        0.1260    0.0000       -1.0743   -1.4523
 5    -18.7802  -18.5923        1.6698    1.4523        5.3557    5.6797
 6    -11.7564  -11.8377       -5.8943   -5.6797       -0.4085    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.0715    7.8015       15.2179   15.6134      -10.8457  -10.6058
 2     23.2305   23.1753       15.4183   15.5290      -10.4850  -10.6058
 3     23.4050   23.1753       15.3733   15.6134      -12.1347  -12.1345
 4      0.3169    0.0844      -15.1869  -15.3738       13.6363   13.8089
 5     -1.2293   -1.5287       20.9441   20.6981       15.7353   15.3738
 6    -35.1085  -34.5070        1.4634    1.5287       -0.7305   -0.0844
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.5836   -0.0004    0.0007    0.0010    0.7792    3.7127
 Low frequencies ---   82.7834  129.3509  192.3251
 Diagonal vibrational polarizability:
       37.1241251      41.1371557      21.8017013
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     82.7833               129.3508               192.3251
 Red. masses --      6.3059                 2.5858                 5.7991
 Frc consts  --      0.0255                 0.0255                 0.1264
 IR Inten    --      2.6980                12.7116                 8.1281
 RamAct Fr= 1--      0.7252                 0.2889                 0.3826
  Dep-P Fr= 1--      0.7436                 0.6709                 0.7072
  Dep-U Fr= 1--      0.8529                 0.8030                 0.8285
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0003
 Beta2  Fr= 1--      0.1031                 0.0387                 0.0528
 AlphaG Fr= 1--      0.0007                -0.0009                -0.0003
 Gamma2 Fr= 1--      0.1382                 0.0891                -0.0112
 Delta2 Fr= 1--      0.0745                 0.0038                 0.0041
 Raman1 Fr= 1--       2.901                  1.156                  1.530
 ROA1   Fr= 1--      15.654                  8.672                 -0.941
 CID1   Fr= 1--       5.397                  7.504                 -0.615
 Raman2 Fr= 1--       1.237                  0.464                  0.634
 ROA2   Fr= 1--       2.721                  2.107                 -0.300
 CID2   Fr= 1--       2.200                  4.540                 -0.473
 Raman3 Fr= 1--       2.474                  0.928                  1.268
 ROA3   Fr= 1--      15.654                  8.672                 -0.941
 CID3   Fr= 1--       6.327                  9.345                 -0.742
 RC180  Fr= 1--       0.706                  0.606                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05   0.06     0.01  -0.14   0.17    -0.20  -0.03  -0.13
     2   6    -0.00   0.08  -0.09     0.02  -0.03   0.08    -0.03  -0.19  -0.18
     3   6    -0.00   0.02  -0.03     0.01   0.00  -0.01     0.07  -0.04  -0.03
     4   8     0.21   0.12   0.31    -0.04   0.06   0.02     0.07   0.09   0.12
     5   8    -0.03  -0.13   0.16     0.03   0.16  -0.12    -0.11   0.20   0.15
     6   7     0.00   0.07  -0.24    -0.05  -0.06  -0.02    -0.04  -0.18  -0.11
     7   8    -0.17  -0.11  -0.22     0.04  -0.01  -0.10     0.24   0.08   0.11
     8   1     0.01   0.22  -0.04     0.10   0.05   0.11    -0.03  -0.23  -0.19
     9   1    -0.14  -0.13   0.02     0.20  -0.47   0.12    -0.34   0.03  -0.14
    10   1     0.06  -0.03   0.14    -0.17  -0.14   0.50    -0.37  -0.07  -0.24
    11   1     0.23   0.14   0.26    -0.08   0.03   0.07    -0.05  -0.02   0.01
    12   1     0.05   0.04  -0.44    -0.04  -0.14  -0.12    -0.07  -0.18   0.03
    13   1    -0.20   0.13  -0.22    -0.15   0.01  -0.04     0.07  -0.21  -0.12
    14   1     0.09  -0.04   0.25    -0.18   0.42  -0.06    -0.01   0.25   0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --    312.5194               320.7589               341.2563
 Red. masses --      1.7166                 1.8756                 2.6226
 Frc consts  --      0.0988                 0.1137                 0.1799
 IR Inten    --     22.1805                55.7047                17.3009
 RamAct Fr= 1--      0.7733                 0.4076                 1.2847
  Dep-P Fr= 1--      0.5223                 0.7333                 0.2131
  Dep-U Fr= 1--      0.6862                 0.8461                 0.3513
 Alpha2 Fr= 1--      0.0034                 0.0001                 0.0168
 Beta2  Fr= 1--      0.0884                 0.0575                 0.0752
 AlphaG Fr= 1--     -0.0055                 0.0014                -0.0153
 Gamma2 Fr= 1--      0.3041                -0.1483                 0.1242
 Delta2 Fr= 1--      0.1814                 0.1153                 0.0757
 Raman1 Fr= 1--       3.093                  1.630                  5.139
 ROA1   Fr= 1--      34.994                -10.549                 14.350
 CID1   Fr= 1--      11.313                 -6.470                  2.793
 Raman2 Fr= 1--       1.061                  0.690                  0.903
 ROA2   Fr= 1--       5.846                 -4.482                  2.376
 CID2   Fr= 1--       5.509                 -6.497                  2.632
 Raman3 Fr= 1--       2.123                  1.380                  1.805
 ROA3   Fr= 1--      34.994                -10.549                 14.350
 CID3   Fr= 1--      16.486                 -7.647                  7.949
 RC180  Fr= 1--       0.372                  0.692                 -0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.06    -0.06  -0.01   0.00    -0.08  -0.07   0.05
     2   6     0.01   0.00  -0.03    -0.02  -0.00  -0.02    -0.00   0.03  -0.06
     3   6     0.00   0.02  -0.01     0.00  -0.02  -0.01     0.01   0.05  -0.08
     4   8     0.05  -0.04  -0.04    -0.06   0.02   0.01     0.21  -0.02  -0.04
     5   8     0.09   0.02   0.03    -0.09  -0.10  -0.06    -0.11  -0.06  -0.07
     6   7    -0.15  -0.02   0.05     0.16   0.05   0.05    -0.04   0.03   0.12
     7   8    -0.07  -0.01   0.02     0.06   0.01   0.01    -0.04   0.06   0.03
     8   1     0.02  -0.08  -0.05    -0.03   0.02  -0.01     0.13  -0.04  -0.06
     9   1    -0.00   0.04  -0.06    -0.08  -0.05  -0.01    -0.08  -0.30  -0.00
    10   1     0.06  -0.00  -0.09    -0.00  -0.00   0.04    -0.08  -0.05   0.28
    11   1     0.14   0.02  -0.02    -0.07   0.04   0.17     0.31   0.02  -0.24
    12   1    -0.12  -0.16  -0.16     0.28   0.20  -0.35    -0.13   0.09   0.56
    13   1    -0.43  -0.05   0.14    -0.12  -0.05   0.18     0.37  -0.05   0.07
    14   1     0.35   0.59   0.41     0.18   0.64   0.40    -0.12   0.16   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    364.0518               435.0243               567.1648
 Red. masses --      1.2893                 3.5655                 3.9462
 Frc consts  --      0.1007                 0.3976                 0.7479
 IR Inten    --     52.0804                26.1892                 6.9497
 RamAct Fr= 1--      0.5476                 2.0646                 1.9567
  Dep-P Fr= 1--      0.2605                 0.2358                 0.4985
  Dep-U Fr= 1--      0.4133                 0.3816                 0.6653
 Alpha2 Fr= 1--      0.0063                 0.0255                 0.0097
 Beta2  Fr= 1--      0.0377                 0.1313                 0.2170
 AlphaG Fr= 1--      0.0122                -0.0039                 0.0010
 Gamma2 Fr= 1--     -0.0254                -0.0238                 0.1506
 Delta2 Fr= 1--      0.0110                 0.0542                -0.1089
 Raman1 Fr= 1--       2.190                  8.259                  7.827
 ROA1   Fr= 1--      -2.088                 -0.552                 10.971
 CID1   Fr= 1--      -0.953                 -0.067                  1.402
 Raman2 Fr= 1--       0.453                  1.576                  2.604
 ROA2   Fr= 1--      -0.699                 -1.005                  4.485
 CID2   Fr= 1--      -1.543                 -0.638                  1.723
 Raman3 Fr= 1--       0.905                  3.151                  5.207
 ROA3   Fr= 1--      -2.088                 -0.552                 10.971
 CID3   Fr= 1--      -2.306                 -0.175                  2.107
 RC180  Fr= 1--      -0.173                 -0.237                  0.331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.03    -0.03   0.17   0.06     0.01  -0.08  -0.08
     2   6    -0.01  -0.02   0.00    -0.01   0.06   0.16    -0.11   0.12  -0.16
     3   6    -0.04   0.00   0.02     0.07  -0.06   0.07    -0.03  -0.10   0.06
     4   8    -0.06   0.04   0.04     0.05  -0.09   0.02    -0.08  -0.12   0.07
     5   8     0.05  -0.01  -0.01    -0.13  -0.07  -0.08     0.08   0.03   0.05
     6   7     0.02  -0.03  -0.05    -0.16   0.01  -0.07    -0.09   0.25   0.05
     7   8    -0.04  -0.01  -0.01     0.19  -0.05  -0.10     0.19  -0.05  -0.06
     8   1    -0.05  -0.03  -0.00     0.00   0.13   0.19    -0.32   0.11  -0.19
     9   1     0.03   0.01  -0.02     0.02   0.47   0.15    -0.06  -0.48  -0.19
    10   1     0.05  -0.01  -0.03     0.04   0.16  -0.22     0.04  -0.04   0.33
    11   1    -0.15  -0.05  -0.11     0.06  -0.11  -0.15    -0.00  -0.07   0.06
    12   1    -0.10   0.04   0.49    -0.24  -0.16   0.12    -0.15   0.27   0.28
    13   1     0.60   0.06  -0.25     0.03   0.29  -0.29     0.01  -0.00   0.19
    14   1     0.22   0.38   0.25     0.02   0.32   0.17     0.10  -0.11  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    662.4185               729.8231               855.6674
 Red. masses --      4.7900                 7.4140                 1.4055
 Frc consts  --      1.2384                 2.3267                 0.6063
 IR Inten    --      5.7003                13.2371                66.5510
 RamAct Fr= 1--      1.0095                 4.7662                 1.9388
  Dep-P Fr= 1--      0.6857                 0.0570                 0.3178
  Dep-U Fr= 1--      0.8136                 0.1078                 0.4823
 Alpha2 Fr= 1--      0.0011                 0.0926                 0.0188
 Beta2  Fr= 1--      0.1369                 0.0856                 0.1558
 AlphaG Fr= 1--     -0.0044                 0.0868                -0.0645
 Gamma2 Fr= 1--     -0.2844                -0.5991                 0.6348
 Delta2 Fr= 1--      0.3796                 0.0448                 0.0455
 Raman1 Fr= 1--       4.038                 19.065                  7.755
 ROA1   Fr= 1--     -15.154                -56.083                 62.393
 CID1   Fr= 1--      -3.753                 -2.942                  8.046
 Raman2 Fr= 1--       1.643                  1.027                  1.870
 ROA2   Fr= 1--      -9.861                -14.737                 14.870
 CID2   Fr= 1--      -6.003                -14.344                  7.952
 Raman3 Fr= 1--       3.285                  2.055                  3.740
 ROA3   Fr= 1--     -15.154                -56.083                 62.393
 CID3   Fr= 1--      -4.613                -27.294                 16.682
 RC180  Fr= 1--       0.627                 -0.784                 -0.035
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11  -0.09    -0.07  -0.11  -0.16     0.01  -0.02   0.01
     2   6    -0.19  -0.06   0.13     0.14   0.02  -0.02     0.09  -0.02  -0.02
     3   6    -0.11   0.19   0.25     0.38   0.16   0.42    -0.04   0.03   0.02
     4   8     0.09  -0.16  -0.03    -0.03   0.13  -0.18    -0.05  -0.07   0.01
     5   8     0.04   0.03   0.03    -0.13   0.01   0.02    -0.02  -0.00  -0.01
     6   7     0.09  -0.08  -0.01    -0.01   0.06  -0.01     0.03   0.04  -0.07
     7   8     0.02   0.18  -0.18    -0.10  -0.22  -0.02    -0.00   0.05  -0.01
     8   1    -0.50  -0.08   0.09    -0.27  -0.00  -0.08     0.14   0.08   0.01
     9   1     0.02  -0.02  -0.05    -0.20  -0.29  -0.22    -0.00   0.11   0.05
    10   1    -0.07  -0.12  -0.14    -0.19  -0.11   0.03    -0.03  -0.03  -0.11
    11   1     0.45   0.09  -0.17    -0.23   0.02   0.17     0.33   0.28   0.54
    12   1     0.20   0.20  -0.23    -0.11  -0.13   0.22    -0.17  -0.32   0.43
    13   1     0.11  -0.04  -0.05    -0.02   0.03   0.03    -0.16  -0.25   0.18
    14   1     0.07  -0.01   0.03    -0.02  -0.02   0.04    -0.05   0.05   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    868.2580               888.5196               946.5034
 Red. masses --      1.6679                 1.9432                 1.8659
 Frc consts  --      0.7408                 0.9039                 0.9849
 IR Inten    --     28.1965                65.2702                50.3315
 RamAct Fr= 1--      3.6676                 4.1089                 2.8784
  Dep-P Fr= 1--      0.1038                 0.1372                 0.4440
  Dep-U Fr= 1--      0.1880                 0.2413                 0.6149
 Alpha2 Fr= 1--      0.0636                 0.0656                 0.0181
 Beta2  Fr= 1--      0.1149                 0.1652                 0.2950
 AlphaG Fr= 1--      0.1069                -0.0527                 0.0160
 Gamma2 Fr= 1--     -0.2870                -0.2443                 0.7485
 Delta2 Fr= 1--     -0.1586                -0.1258                 0.1340
 Raman1 Fr= 1--      14.670                 16.436                 11.514
 ROA1   Fr= 1--     -32.628                -27.482                 76.145
 CID1   Fr= 1--      -2.224                 -1.672                  6.613
 Raman2 Fr= 1--       1.379                  1.983                  3.540
 ROA2   Fr= 1--      -5.619                 -4.858                 16.892
 CID2   Fr= 1--      -4.074                 -2.450                  4.772
 Raman3 Fr= 1--       2.759                  3.966                  7.080
 ROA3   Fr= 1--     -32.628                -27.482                 76.145
 CID3   Fr= 1--     -11.827                 -6.929                 10.755
 RC180  Fr= 1--      -0.624                 -0.517                  0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.00    -0.05  -0.17  -0.02    -0.04  -0.08  -0.11
     2   6    -0.13  -0.03   0.07     0.01  -0.07   0.09     0.16   0.04   0.05
     3   6     0.03  -0.05  -0.06    -0.01  -0.02  -0.04    -0.03   0.02  -0.04
     4   8     0.04   0.06  -0.08     0.03   0.03   0.01    -0.04  -0.07   0.05
     5   8     0.04   0.01   0.00     0.04   0.02  -0.00    -0.03   0.01   0.01
     6   7    -0.05   0.02  -0.01     0.02   0.17  -0.02    -0.04   0.02   0.07
     7   8     0.01  -0.05   0.05    -0.01  -0.01   0.01    -0.00   0.04  -0.00
     8   1    -0.13   0.04   0.09     0.15   0.11   0.16     0.35  -0.12   0.03
     9   1     0.05   0.12   0.06    -0.02   0.33   0.11    -0.07  -0.12  -0.13
    10   1    -0.02  -0.07  -0.16    -0.13  -0.24  -0.55    -0.12  -0.09  -0.07
    11   1     0.24   0.31   0.71    -0.18  -0.18  -0.45     0.07   0.04   0.22
    12   1     0.02   0.33  -0.04    -0.06  -0.01   0.12     0.07   0.05  -0.30
    13   1     0.25   0.12  -0.15    -0.20  -0.01   0.16     0.21   0.61  -0.39
    14   1    -0.00   0.02  -0.01    -0.11   0.09  -0.02     0.07  -0.06   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1000.0291              1063.5726              1122.5534
 Red. masses --      1.8744                 5.4881                 2.7569
 Frc consts  --      1.1044                 3.6577                 2.0469
 IR Inten    --     37.9540               129.7682                27.2200
 RamAct Fr= 1--      1.9016                 3.7349                 2.5955
  Dep-P Fr= 1--      0.1789                 0.4905                 0.6308
  Dep-U Fr= 1--      0.3036                 0.6582                 0.7736
 Alpha2 Fr= 1--      0.0273                 0.0193                 0.0056
 Beta2  Fr= 1--      0.0962                 0.4097                 0.3347
 AlphaG Fr= 1--     -0.0018                 0.0078                 0.0047
 Gamma2 Fr= 1--     -0.2391                -0.0663                 0.4074
 Delta2 Fr= 1--     -0.2609                -0.2544                 0.8015
 Raman1 Fr= 1--       7.606                 14.940                 10.382
 ROA1   Fr= 1--     -31.299                -14.503                 64.758
 CID1   Fr= 1--      -4.115                 -0.971                  6.238
 Raman2 Fr= 1--       1.155                  4.917                  4.016
 ROA2   Fr= 1--      -3.650                  0.445                  3.365
 CID2   Fr= 1--      -3.162                  0.090                  0.838
 Raman3 Fr= 1--       2.309                  9.833                  8.032
 ROA3   Fr= 1--     -31.299                -14.503                 64.758
 CID3   Fr= 1--     -13.555                 -1.475                  8.063
 RC180  Fr= 1--      -0.393                  0.316                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.13     0.45  -0.14  -0.04    -0.01  -0.13  -0.06
     2   6    -0.02  -0.01   0.17    -0.05  -0.02  -0.02     0.00   0.29   0.02
     3   6    -0.05  -0.06  -0.07     0.03   0.01  -0.05    -0.08  -0.07  -0.00
     4   8     0.04   0.06  -0.02    -0.01  -0.03   0.02     0.01   0.05  -0.02
     5   8    -0.05   0.01   0.02    -0.33   0.11   0.07    -0.00   0.02   0.01
     6   7     0.06   0.03  -0.04    -0.03   0.02   0.00     0.05  -0.15   0.04
     7   8     0.01  -0.01   0.02    -0.01   0.02  -0.00     0.04  -0.04   0.02
     8   1    -0.22  -0.08   0.12     0.02   0.04  -0.00    -0.21   0.54   0.07
     9   1     0.18  -0.39  -0.20     0.41   0.12   0.04    -0.28   0.13  -0.05
    10   1    -0.13   0.05   0.33     0.42  -0.16  -0.22     0.30  -0.09  -0.23
    11   1     0.04   0.04  -0.06    -0.07  -0.07  -0.01     0.09   0.09  -0.06
    12   1    -0.10  -0.41   0.21     0.06   0.34  -0.11     0.01  -0.34   0.07
    13   1    -0.25   0.09   0.03     0.13  -0.17   0.07    -0.02  -0.09   0.01
    14   1     0.41  -0.17   0.08     0.01  -0.04   0.12    -0.31   0.14  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1139.7648              1220.7424              1292.3082
 Red. masses --      1.1438                 2.5959                 1.2424
 Frc consts  --      0.8754                 2.2792                 1.2225
 IR Inten    --     20.6107                13.4988                 8.2541
 RamAct Fr= 1--      2.6843                 5.5162                 6.2227
  Dep-P Fr= 1--      0.2346                 0.5957                 0.3827
  Dep-U Fr= 1--      0.3801                 0.7467                 0.5536
 Alpha2 Fr= 1--      0.0332                 0.0158                 0.0490
 Beta2  Fr= 1--      0.1700                 0.6864                 0.5741
 AlphaG Fr= 1--      0.0130                -0.0238                 0.0655
 Gamma2 Fr= 1--      0.5392                 0.4458                -2.1722
 Delta2 Fr= 1--     -0.0536                 0.2798                -0.5064
 Raman1 Fr= 1--      10.737                 22.065                 24.891
 ROA1   Fr= 1--      50.052                 51.751               -224.735
 CID1   Fr= 1--       4.662                  2.345                 -9.029
 Raman2 Fr= 1--       2.040                  8.237                  6.889
 ROA2   Fr= 1--      13.370                  8.461                -48.081
 CID2   Fr= 1--       6.553                  1.027                 -6.979
 Raman3 Fr= 1--       4.081                 16.475                 13.779
 ROA3   Fr= 1--      50.052                 51.751               -224.735
 CID3   Fr= 1--      12.265                  3.141                -16.310
 RC180  Fr= 1--      -0.240                  0.493                  0.107
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.02    -0.02  -0.00  -0.05    -0.00   0.02  -0.07
     2   6    -0.01   0.06   0.01    -0.08   0.04   0.11    -0.01  -0.01   0.07
     3   6     0.03   0.02  -0.01     0.22   0.09  -0.16    -0.04  -0.01   0.04
     4   8    -0.01  -0.02   0.01    -0.02  -0.12   0.07     0.00   0.02  -0.01
     5   8    -0.00   0.00  -0.01     0.03  -0.00   0.01     0.01  -0.00   0.01
     6   7    -0.02  -0.05  -0.01     0.01  -0.02  -0.02    -0.02   0.00  -0.05
     7   8    -0.00   0.00  -0.00    -0.05   0.07  -0.01     0.02  -0.03   0.00
     8   1     0.33   0.44   0.18    -0.16   0.04   0.09     0.62  -0.16   0.13
     9   1     0.29  -0.01   0.03    -0.32  -0.11  -0.13    -0.25  -0.16  -0.17
    10   1    -0.32  -0.05  -0.03     0.25   0.06   0.06     0.34   0.11   0.16
    11   1    -0.06  -0.05   0.01    -0.47  -0.38   0.36     0.10   0.08  -0.08
    12   1     0.03   0.25  -0.00    -0.05  -0.04   0.16     0.02   0.30  -0.01
    13   1     0.07  -0.33   0.14    -0.08  -0.13   0.08     0.01  -0.28   0.12
    14   1     0.47  -0.19   0.05    -0.26   0.12  -0.03    -0.25   0.10  -0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1303.6362              1365.4044              1385.9039
 Red. masses --      1.5112                 1.3908                 1.2834
 Frc consts  --      1.5131                 1.5277                 1.4524
 IR Inten    --      1.3487                29.8989                11.0329
 RamAct Fr= 1--      0.7303                 2.8362                 1.1676
  Dep-P Fr= 1--      0.3606                 0.6153                 0.6446
  Dep-U Fr= 1--      0.5301                 0.7619                 0.7839
 Alpha2 Fr= 1--      0.0062                 0.0070                 0.0022
 Beta2  Fr= 1--      0.0645                 0.3601                 0.1526
 AlphaG Fr= 1--     -0.0139                -0.0137                 0.0110
 Gamma2 Fr= 1--      0.7147                -0.2361                -1.1652
 Delta2 Fr= 1--      0.0564                -0.5950                -0.5221
 Raman1 Fr= 1--       2.921                 11.345                  4.670
 ROA1   Fr= 1--      70.421                -41.709               -128.564
 CID1   Fr= 1--      24.107                 -3.677                -27.527
 Raman2 Fr= 1--       0.774                  4.322                  1.831
 ROA2   Fr= 1--      16.702                 -0.907                -23.787
 CID2   Fr= 1--      21.573                 -0.210                -12.994
 Raman3 Fr= 1--       1.548                  8.643                  3.661
 ROA3   Fr= 1--      70.421                -41.709               -128.564
 CID3   Fr= 1--      45.478                 -4.826                -35.114
 RC180  Fr= 1--       0.060                  0.524                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.02    -0.00   0.04  -0.04    -0.09  -0.05   0.04
     2   6    -0.17   0.02  -0.07     0.02  -0.15  -0.04     0.07  -0.03   0.02
     3   6     0.03   0.02   0.04    -0.03  -0.01   0.02     0.00   0.00  -0.01
     4   8     0.00  -0.01  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.01
     5   8    -0.00   0.03  -0.01     0.00  -0.01   0.02    -0.02   0.05  -0.04
     6   7     0.06   0.00   0.03    -0.01   0.02   0.04    -0.02   0.01  -0.01
     7   8     0.00  -0.01  -0.01    -0.01   0.02  -0.01    -0.00  -0.00   0.00
     8   1     0.60  -0.10   0.01    -0.02   0.83   0.25    -0.24  -0.00  -0.01
     9   1     0.14   0.11   0.08     0.05  -0.12  -0.08    -0.18   0.15   0.09
    10   1     0.31   0.02   0.01     0.25   0.10   0.11     0.71   0.08   0.11
    11   1    -0.08  -0.06   0.09    -0.08  -0.05   0.06     0.06   0.05  -0.05
    12   1    -0.04  -0.43   0.10    -0.00  -0.09  -0.03     0.01   0.12  -0.02
    13   1    -0.13   0.36  -0.15     0.03   0.18  -0.08     0.02  -0.08   0.03
    14   1     0.22  -0.09   0.01    -0.20   0.08  -0.01     0.51  -0.21   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1410.4825              1416.2810              1504.1457
 Red. masses --      1.4320                 1.3088                 1.0836
 Frc consts  --      1.6785                 1.5468                 1.4444
 IR Inten    --    329.5136                72.9026                 3.4238
 RamAct Fr= 1--      2.9798                 2.1797                 4.4199
  Dep-P Fr= 1--      0.6285                 0.2435                 0.7495
  Dep-U Fr= 1--      0.7719                 0.3916                 0.8568
 Alpha2 Fr= 1--      0.0066                 0.0263                 0.0000
 Beta2  Fr= 1--      0.3834                 0.1423                 0.6312
 AlphaG Fr= 1--      0.0113                -0.0276                 0.0004
 Gamma2 Fr= 1--     -0.2960                 0.8932                 0.1039
 Delta2 Fr= 1--     -0.1969                 0.3462                -0.0742
 Raman1 Fr= 1--      11.919                  8.719                 17.680
 ROA1   Fr= 1--     -34.720                 96.824                  7.595
 CID1   Fr= 1--      -2.913                 11.105                  0.430
 Raman2 Fr= 1--       4.600                  1.707                  7.574
 ROA2   Fr= 1--      -5.530                 18.666                  3.087
 CID2   Fr= 1--      -1.202                 10.933                  0.408
 Raman3 Fr= 1--       9.200                  3.415                 15.148
 ROA3   Fr= 1--     -34.720                 96.824                  7.595
 CID3   Fr= 1--      -3.774                 28.356                  0.501
 RC180  Fr= 1--       0.544                 -0.217                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.03    -0.08  -0.02  -0.07     0.04  -0.04  -0.05
     2   6    -0.06  -0.04   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
     3   6     0.09   0.05  -0.06     0.06   0.04  -0.05    -0.00   0.00  -0.00
     4   8    -0.08  -0.01   0.04    -0.05  -0.01   0.03     0.00   0.00   0.00
     5   8     0.00   0.00  -0.02     0.01  -0.01   0.04     0.01  -0.00  -0.01
     6   7     0.02  -0.01   0.01     0.00  -0.01  -0.00     0.00   0.00   0.00
     7   8    -0.00  -0.04   0.02    -0.00  -0.03   0.01     0.00   0.00  -0.00
     8   1     0.03   0.20   0.09    -0.09  -0.05  -0.03     0.03   0.06   0.02
     9   1    -0.45  -0.15  -0.10     0.73   0.17   0.12    -0.28   0.64   0.09
    10   1    -0.14  -0.04  -0.13     0.19   0.07   0.21    -0.25  -0.00   0.66
    11   1     0.53   0.40  -0.40     0.30   0.22  -0.25    -0.00  -0.00  -0.01
    12   1     0.01  -0.05   0.00     0.01   0.03   0.00     0.00   0.01  -0.00
    13   1    -0.03   0.13  -0.06    -0.02   0.00  -0.00    -0.01   0.02  -0.00
    14   1     0.12  -0.06  -0.01    -0.30   0.13   0.01     0.01  -0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.9378              1838.8079              3017.3318
 Red. masses --      1.0873                 9.5554                 1.0839
 Frc consts  --      1.7758                19.0359                 5.8140
 IR Inten    --     38.6148               320.2678                20.2737
 RamAct Fr= 1--      3.8556                13.0210               110.1656
  Dep-P Fr= 1--      0.5894                 0.2452                 0.2030
  Dep-U Fr= 1--      0.7417                 0.3938                 0.3375
 Alpha2 Fr= 1--      0.0115                 0.1564                 1.4842
 Beta2  Fr= 1--      0.4766                 0.8546                 6.1964
 AlphaG Fr= 1--     -0.0124                -0.0465                -0.1704
 Gamma2 Fr= 1--     -0.6766                 0.0625                 1.5811
 Delta2 Fr= 1--     -0.3390                -0.0953                 2.7713
 Raman1 Fr= 1--      15.422                 52.084                440.662
 ROA1   Fr= 1--     -75.798                  2.947                240.465
 CID1   Fr= 1--      -4.915                  0.057                  0.546
 Raman2 Fr= 1--       5.719                 10.255                 74.356
 ROA2   Fr= 1--     -13.526                  2.262                 15.775
 CID2   Fr= 1--      -2.365                  0.221                  0.212
 Raman3 Fr= 1--      11.439                 20.510                148.713
 ROA3   Fr= 1--     -75.798                  2.947                240.465
 CID3   Fr= 1--      -6.627                  0.144                  1.617
 RC180  Fr= 1--       0.483                 -0.212                 -0.325
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.02  -0.00   0.02     0.03  -0.04  -0.00     0.01   0.02  -0.08
     3   6     0.01   0.01  -0.01    -0.31   0.62  -0.16    -0.00   0.00  -0.00
     4   8    -0.00  -0.00   0.00     0.05  -0.05   0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.03   0.07   0.01     0.00  -0.01   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.19  -0.38   0.10     0.00  -0.00   0.00
     8   1     0.02  -0.03   0.02    -0.13   0.08  -0.02    -0.14  -0.28   0.93
     9   1    -0.00   0.01  -0.00    -0.02  -0.01   0.00     0.02   0.04  -0.13
    10   1     0.01   0.01   0.02    -0.06   0.01  -0.02    -0.01   0.02  -0.00
    11   1     0.03   0.02  -0.00    -0.38  -0.22   0.26     0.00  -0.01   0.00
    12   1    -0.01  -0.56  -0.45    -0.00  -0.01   0.04     0.00   0.00   0.00
    13   1     0.57  -0.37   0.10    -0.01   0.02  -0.01    -0.01  -0.00  -0.01
    14   1     0.00  -0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3051.3121              3100.6237              3443.7340
 Red. masses --      1.0571                 1.1098                 1.0640
 Frc consts  --      5.7989                 6.2865                 7.4347
 IR Inten    --     19.8589                16.5230               247.8112
 RamAct Fr= 1--     87.3895                37.5695                68.2314
  Dep-P Fr= 1--      0.0540                 0.7491                 0.0800
  Dep-U Fr= 1--      0.1024                 0.8565                 0.1481
 Alpha2 Fr= 1--      1.7099                 0.0006                 1.2543
 Beta2  Fr= 1--      1.4919                 5.3632                 1.6841
 AlphaG Fr= 1--     -0.1063                -0.0062                 0.0630
 Gamma2 Fr= 1--      0.3050                -3.0597                -1.5012
 Delta2 Fr= 1--      1.3033                -2.6007                -1.6381
 Raman1 Fr= 1--     349.558                150.278                272.926
 ROA1   Fr= 1--      70.984               -376.957               -196.538
 CID1   Fr= 1--       0.203                 -2.508                 -0.720
 Raman2 Fr= 1--      17.903                 64.359                 20.209
 ROA2   Fr= 1--      -3.106                -52.628                -22.924
 CID2   Fr= 1--      -0.174                 -0.818                 -1.134
 Raman3 Fr= 1--      35.807                128.718                 40.418
 ROA3   Fr= 1--      70.984               -376.957               -196.538
 CID3   Fr= 1--       1.982                 -2.929                 -4.863
 RC180  Fr= 1--      -0.795                  0.713                 -0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.05     0.00   0.07  -0.06    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.04  -0.05   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.02   0.07    -0.01  -0.03   0.11     0.00  -0.01   0.01
     9   1    -0.11  -0.18   0.63    -0.11  -0.18   0.70    -0.00   0.00   0.00
    10   1    -0.12   0.72  -0.09     0.11  -0.66   0.07    -0.00  -0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.58   0.79  -0.11
    12   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.13   0.02  -0.03
    13   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.04   0.07
    14   1     0.00   0.00  -0.01    -0.01   0.01  -0.02     0.00   0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3497.5871              3570.1918              3795.9027
 Red. masses --      1.0501                 1.0935                 1.0663
 Frc consts  --      7.5686                 8.2123                 9.0522
 IR Inten    --      2.8299                19.2573                35.8904
 RamAct Fr= 1--     87.0384                42.9536                67.3809
  Dep-P Fr= 1--      0.0840                 0.6825                 0.1831
  Dep-U Fr= 1--      0.1549                 0.8113                 0.3095
 Alpha2 Fr= 1--      1.5846                 0.0511                 0.9566
 Beta2  Fr= 1--      2.2475                 5.8078                 3.4761
 AlphaG Fr= 1--     -0.1916                 0.0456                 0.3062
 Gamma2 Fr= 1--      3.5665                -6.0729                 1.7826
 Delta2 Fr= 1--      3.2860                -1.0782                 0.5797
 Raman1 Fr= 1--     348.154                171.814                269.523
 ROA1   Fr= 1--     447.541               -617.498                189.686
 CID1   Fr= 1--       1.285                 -3.594                  0.704
 Raman2 Fr= 1--      26.970                 69.694                 41.713
 ROA2   Fr= 1--      59.309               -137.124                 38.146
 CID2   Fr= 1--       2.199                 -1.968                  0.914
 Raman3 Fr= 1--      53.940                139.387                 83.426
 ROA3   Fr= 1--     447.541               -617.498                189.686
 CID3   Fr= 1--       8.297                 -4.430                  2.274
 RC180  Fr= 1--      -0.690                  0.623                 -0.381
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   8     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.03  -0.05
     6   7    -0.04   0.03   0.02    -0.05  -0.02  -0.06    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.09   0.12  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
    12   1     0.73  -0.13   0.21     0.59  -0.11   0.14     0.00   0.00   0.00
    13   1    -0.16  -0.32  -0.50     0.17   0.41   0.65     0.00   0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.29  -0.43   0.85

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   400.92143 988.456541232.67619
           X            0.99980   0.01890  -0.00715
           Y           -0.01871   0.99950   0.02538
           Z            0.00762  -0.02525   0.99965
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21604     0.08763     0.07026
 Rotational constants (GHZ):           4.50148     1.82582     1.46408
 Zero-point vibrational energy     298478.3 (Joules/Mol)
                                   71.33803 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    119.11   186.11   276.71   449.65   461.50
          (Kelvin)            490.99   523.79   625.90   816.02   953.07
                             1050.05  1231.11  1249.23  1278.38  1361.81
                             1438.82  1530.24  1615.10  1639.87  1756.38
                             1859.34  1875.64  1964.51  1994.01  2029.37
                             2037.71  2164.13  2395.47  2645.63  4341.27
                             4390.16  4461.11  4954.77  5032.25  5136.71
                             5461.46
 
 Zero-point correction=                           0.113684 (Hartree/Particle)
 Thermal correction to Energy=                    0.121153
 Thermal correction to Enthalpy=                  0.122097
 Thermal correction to Gibbs Free Energy=         0.081937
 Sum of electronic and zero-point Energies=           -399.040194
 Sum of electronic and thermal Energies=              -399.032725
 Sum of electronic and thermal Enthalpies=            -399.031781
 Sum of electronic and thermal Free Energies=         -399.071941
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.025             26.614             84.526
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.682
 Vibrational             74.247             20.653             16.979
 Vibration     1          0.600              1.961              3.824
 Vibration     2          0.612              1.924              2.956
 Vibration     3          0.634              1.851              2.205
 Vibration     4          0.701              1.650              1.349
 Vibration     5          0.706              1.634              1.306
 Vibration     6          0.721              1.593              1.206
 Vibration     7          0.738              1.546              1.105
 Vibration     8          0.796              1.394              0.842
 Vibration     9          0.923              1.102              0.510
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.205045D-37        -37.688150        -86.780173
 Total V=0       0.400859D+15         14.602991         33.624630
 Vib (Bot)       0.193673D-50        -50.712931       -116.770839
 Vib (Bot)    1  0.248665D+01          0.395615          0.910936
 Vib (Bot)    2  0.157632D+01          0.197645          0.455093
 Vib (Bot)    3  0.103975D+01          0.016929          0.038980
 Vib (Bot)    4  0.604172D+00         -0.218840         -0.503897
 Vib (Bot)    5  0.585789D+00         -0.232259         -0.534796
 Vib (Bot)    6  0.543689D+00         -0.264650         -0.609379
 Vib (Bot)    7  0.502110D+00         -0.299201         -0.688936
 Vib (Bot)    8  0.398951D+00         -0.399080         -0.918916
 Vib (Bot)    9  0.272118D+00         -0.565242         -1.301519
 Vib (V=0)       0.378626D+02          1.578211          3.633964
 Vib (V=0)    1  0.303642D+01          0.482362          1.110679
 Vib (V=0)    2  0.215372D+01          0.333189          0.767196
 Vib (V=0)    3  0.165372D+01          0.218463          0.503030
 Vib (V=0)    4  0.128423D+01          0.108644          0.250163
 Vib (V=0)    5  0.127016D+01          0.103859          0.239144
 Vib (V=0)    6  0.123865D+01          0.092947          0.214019
 Vib (V=0)    7  0.120860D+01          0.082283          0.189463
 Vib (V=0)    8  0.113966D+01          0.056774          0.130728
 Vib (V=0)    9  0.106925D+01          0.029080          0.066960
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.250195D+06          5.398279         12.429996
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3       3 3 3           33 3                                      1     1    1 111111  1 11 1 1                                 
     7       5 4 4           10 0                                      8     6    5 443332  2 11 0 0 9888   7 6   5   43333   1 1    
     9       7 9 4           05 1                                      3     6    0 118609  2 42 6 0 4865   3 6   6   36421   9 2 8  
     6       0 8 4           11 7                                      9     5    4 606542  1 03 4 0 7986   0 2   7   54113   2 9 3  
 
     X       X X X           XX X                                      X     X    X XXXXXX  X XX X X XXXX   X X   X   XXXXX   X X X  
     X           X                                                     X     X      XX X       X X X XXXX             XX X           
                 X                                                     X            XX           X   XX X              X X           
                 X                                                     X            XX           X    X X                            
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                                     X                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001856   -0.000003788    0.000005794
      2        6          -0.000016038   -0.000006050   -0.000010356
      3        6           0.000010476    0.000014807   -0.000019407
      4        8          -0.000016047   -0.000015316    0.000014693
      5        8           0.000014336    0.000008169   -0.000001392
      6        7           0.000028371    0.000021460    0.000019170
      7        8          -0.000001014   -0.000005271    0.000004152
      8        1           0.000007017    0.000002350    0.000007498
      9        1          -0.000007104   -0.000007777   -0.000004558
     10        1          -0.000004017   -0.000004428   -0.000000720
     11        1          -0.000000538    0.000007429    0.000000216
     12        1          -0.000004693   -0.000004192   -0.000006430
     13        1          -0.000008458    0.000001577   -0.000002304
     14        1          -0.000000436   -0.000008972   -0.000006356
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028371 RMS     0.000010276
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.640716D+02 -0.171069D+01 -0.183717D+01
      2  -0.171069D+01  0.617482D+02 -0.267130D+01
      3  -0.183717D+01 -0.267130D+01  0.507580D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.240032D+01  0.752848D+00 -0.735685D+00
      2  -0.220514D+01 -0.550577D+01 -0.969972D+01
      3   0.641537D+01 -0.213798D+01  0.379039D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.289753D+02 -0.121918D+02 -0.803673D+01
      2   0.183884D+02  0.885460D+01  0.409777D+01
      3   0.105869D+02  0.333720D+01  0.393896D+01
      4  -0.106184D+02  0.848901D+01 -0.147169D+02
      5  -0.930269D+00 -0.158651D+02 -0.146863D+02
      6  -0.666421D+01  0.967551D+01  0.499505D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.826856D+00 -0.138993D+01 -0.101905D+01 -0.353674D+01 -0.201794D+01
      2  -0.138993D+01 -0.262657D+01 -0.501368D+00 -0.201794D+01  0.510382D+01
      3  -0.101905D+01 -0.501368D+00 -0.231485D+01 -0.676083D+00 -0.381648D+00
                 6             7             8             9            10 
      1  -0.676083D+00 -0.304231D+01 -0.535226D+00 -0.187111D+01  0.348086D+00
      2  -0.381648D+00 -0.535226D+00 -0.107172D+01 -0.151706D+01  0.204238D+01
      3  -0.187271D+01 -0.187111D+01 -0.151706D+01  0.560156D+01  0.200161D+01
                11            12            13            14            15 
      1   0.204238D+01  0.200161D+01  0.344031D+01  0.127038D+01  0.349700D+00
      2   0.142288D+01  0.210937D+00  0.127038D+01 -0.210052D+01 -0.394930D+00
      3   0.210937D+00  0.120684D+01  0.349700D+00 -0.394930D+00  0.269393D+01
                16            17            18            19            20 
      1   0.299719D+01 -0.278405D-01  0.189810D+01  0.105269D+01 -0.140691D+00
      2  -0.278405D-01 -0.308210D-01  0.316081D+01 -0.140691D+00 -0.197402D+01
      3   0.189810D+01  0.316081D+01 -0.565278D+01 -0.128364D+01  0.119669D+01
                21            22            23            24            25 
      1  -0.128364D+01  0.209654D+01 -0.230754D+01  0.125495D+01 -0.866860D-01
      2   0.119669D+01 -0.230754D+01  0.439863D+01 -0.812479D+00  0.157660D+01
      3  -0.824535D-01  0.125495D+01 -0.812479D+00  0.350250D+00 -0.141208D+00
                26            27            28            29            30 
      1   0.157660D+01 -0.141208D+00  0.618689D+01  0.880004D+00 -0.213761D+01
      2  -0.677800D+00 -0.424703D+00  0.880004D+00  0.293084D+01 -0.528007D+00
      3  -0.424703D+00  0.445334D+00 -0.213761D+01 -0.528007D+00  0.139202D+01
                31            32            33            34            35 
      1  -0.163177D+01  0.315068D+01  0.513190D+00 -0.178170D+01 -0.750456D+00
      2   0.315068D+01  0.471302D+00 -0.595470D+00 -0.750456D+00 -0.390906D+00
      3   0.513190D+00 -0.595470D+00  0.504987D-01  0.140508D+01  0.136864D+01
                36            37            38            39            40 
      1   0.140508D+01 -0.700409D+01  0.526837D+00 -0.136552D+01  0.240082D+01
      2   0.136864D+01  0.526837D+00 -0.692985D-01 -0.407693D+00 -0.779519D+00
      3  -0.264272D+01 -0.136552D+01 -0.407693D+00  0.939491D+00 -0.729947D+00
                41            42            43            44            45 
      1  -0.779519D+00 -0.729947D+00 -0.273765D+01 -0.700455D+00  0.429140D+00
      2   0.668541D+00 -0.619793D+00 -0.700455D+00 -0.109530D+01  0.139605D+01
      3  -0.619793D+00  0.182645D+01  0.429140D+00  0.139605D+01 -0.373592D+01
                46            47            48            49            50 
      1   0.399701D+01 -0.515317D+00 -0.126276D-01 -0.482127D+00 -0.329620D+00
      2  -0.515317D+00  0.295471D+00 -0.533766D-01 -0.329620D+00  0.331257D+01
      3  -0.126276D-01 -0.533766D-01 -0.106218D+01 -0.401348D+00 -0.141177D+01
                51            52            53            54            55 
      1  -0.401348D+00  0.400771D-01 -0.316603D+00 -0.113165D+01  0.485850D+01
      2  -0.141177D+01 -0.316603D+00 -0.329552D+01 -0.193431D+01 -0.378944D+01
      3  -0.189612D+01 -0.113165D+01 -0.193431D+01 -0.215927D+01  0.141821D+01
                56            57            58            59            60 
      1  -0.378944D+01  0.141821D+01 -0.518450D+01  0.345634D+01 -0.703389D+00
      2   0.340846D+01 -0.941459D+00  0.345634D+01 -0.106652D+02  0.169328D+01
      3  -0.941459D+00  0.121686D+01 -0.703389D+00  0.169328D+01 -0.249918D+01
                61            62            63            64            65 
      1   0.116124D+01 -0.655884D+00  0.188565D+01 -0.499694D+00 -0.783279D+00
      2  -0.655884D+00  0.124352D+01 -0.278049D+01 -0.783279D+00 -0.532040D+00
      3   0.188565D+01 -0.278049D+01  0.215942D+01  0.118795D+01  0.780005D-01
                66            67            68            69            70 
      1   0.118795D+01 -0.121440D+01 -0.566393D+00  0.193163D+00  0.124863D+01
      2   0.780005D-01 -0.566393D+00 -0.129445D+01  0.166219D+01  0.154901D+00
      3  -0.102320D+01  0.193163D+00  0.166219D+01 -0.194823D+01 -0.918766D+00
                71            72            73            74            75 
      1   0.154901D+00 -0.918766D+00  0.113923D+00  0.392237D+00 -0.101433D+01
      2   0.212890D+01 -0.187829D+01  0.392237D+00  0.343976D+00  0.710475D-01
      3  -0.187829D+01  0.786198D+01 -0.101433D+01  0.710475D-01  0.955645D+00
                76            77            78            79            80 
      1   0.114432D+01  0.394483D+00  0.707410D-01 -0.146720D+01 -0.817040D-01
      2   0.394483D+00  0.924656D-01 -0.104628D+01 -0.817040D-01 -0.119810D+01
      3   0.707410D-01 -0.104628D+01  0.151873D+01  0.133774D+00  0.232123D+00
                81            82            83            84            85 
      1   0.133774D+00  0.814657D+00 -0.105302D+01  0.174772D+00 -0.140131D+01
      2   0.232123D+00 -0.105302D+01  0.950119D+00  0.192137D+00  0.452628D+00
      3  -0.779448D+01  0.174772D+00  0.192137D+00  0.447625D+00  0.850695D-01
                86            87            88            89            90 
      1   0.452628D+00  0.850695D-01  0.889973D+00  0.900612D-01  0.315992D+00
      2  -0.805397D+01 -0.528696D+00  0.900612D-01  0.456189D+00 -0.946844D+00
      3  -0.528696D+00 -0.953517D+00  0.315992D+00 -0.946844D+00 -0.439393D+00
                91            92            93            94            95 
      1  -0.277932D+01  0.158604D+01  0.100143D+01  0.333310D+01 -0.491496D+00
      2   0.158604D+01 -0.129689D+01  0.269406D-01 -0.491496D+00  0.377128D+01
      3   0.100143D+01  0.269406D-01 -0.412407D+00 -0.942788D+00 -0.855916D+00
                96            97            98            99           100 
      1  -0.942788D+00  0.227112D+00 -0.146562D+00  0.204594D+00 -0.601373D+01
      2  -0.855916D+00 -0.146562D+00 -0.823422D+00  0.738727D+00  0.203819D+01
      3   0.138418D+01  0.204594D+00  0.738727D+00 -0.125598D+01 -0.698377D+00
               101           102           103           104           105 
      1   0.203819D+01 -0.698377D+00  0.179953D+01 -0.144647D+01 -0.418582D-01
      2  -0.289912D+01 -0.404179D-01 -0.144647D+01  0.130593D+01 -0.174454D-01
      3  -0.404179D-01 -0.100013D+01 -0.418582D-01 -0.174454D-01  0.498077D+00
               106           107           108           109           110 
      1  -0.145930D+01  0.149464D+00 -0.380952D+00  0.424225D+00  0.786774D+00
      2   0.149464D+00 -0.401610D+00  0.568870D+00  0.786774D+00  0.773423D+00
      3  -0.380952D+00  0.568870D+00 -0.332594D+00  0.516048D+00  0.347809D+00
               111           112           113           114           115 
      1   0.516048D+00  0.742071D+00  0.232202D+00  0.846524D-01  0.770608D+00
      2   0.347809D+00  0.232202D+00  0.398642D+01  0.231313D+01  0.332861D+00
      3   0.119708D+01  0.846524D-01  0.231313D+01  0.256247D+01  0.643038D+00
               116           117           118           119           120 
      1   0.332861D+00  0.643038D+00 -0.232599D+01 -0.580792D+00  0.123114D+01
      2   0.374967D+01  0.332133D+01 -0.580792D+00 -0.727223D+00  0.348763D+00
      3   0.332133D+01  0.385256D+01  0.123114D+01  0.348763D+00 -0.146034D+01
               121           122           123           124           125 
      1  -0.150584D+01 -0.101773D+01  0.943951D+00  0.324001D+01  0.910841D+00
      2  -0.101773D+01 -0.996795D+00  0.995833D+00  0.910841D+00  0.140693D+01
      3   0.943951D+00  0.995833D+00 -0.171483D+01 -0.247168D+01 -0.130487D+01
               126 
      1  -0.247168D+01
      2  -0.130487D+01
      3   0.409227D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.614713D+00  0.114811D+01 -0.148450D+01 -0.968559D+00 -0.559960D+01
      2   0.941599D+00  0.150341D+00  0.176581D+01  0.117908D+01 -0.929601D+00
      3  -0.231333D+01  0.224418D+00  0.506579D+00  0.448561D+01  0.778428D+01
                 6             7             8             9            10 
      1  -0.394761D+01 -0.889597D+00  0.137894D+01  0.600480D+01  0.873509D+00
      2   0.144949D+01 -0.219606D+01  0.392753D+00 -0.664332D+01  0.622893D+01
      3   0.870526D+00  0.112168D+01 -0.270344D+00 -0.160646D-01 -0.688365D+00
                11            12            13            14            15 
      1   0.765995D-01 -0.221586D+00 -0.214615D+01 -0.913572D+00  0.879941D+00
      2   0.193714D+00  0.358756D+01 -0.192261D+01 -0.157750D+00 -0.735760D+00
      3  -0.638384D+01 -0.149816D+01  0.164162D+00 -0.205842D+01  0.164932D+01
                16            17            18            19            20 
      1   0.445945D+00  0.375202D+01  0.389963D+00  0.150807D+01  0.103722D+01
      2  -0.505377D+01  0.113956D+00  0.999679D+00 -0.938270D+01 -0.847734D+00
      3  -0.971621D+00 -0.119711D+00  0.363290D+00  0.687948D+01  0.187070D+01
                21            22            23            24            25 
      1  -0.304806D+01  0.260593D+01  0.604225D+01  0.493240D+01  0.466789D+00
      2  -0.390771D+01 -0.423285D+01 -0.715875D+00  0.411802D+01 -0.134617D+02
      3   0.464448D+00  0.434552D+01 -0.103433D+02 -0.176239D+01  0.310603D+01
                26            27            28            29            30 
      1   0.583310D+01 -0.647120D+01  0.253177D+01 -0.440526D+01 -0.245262D+01
      2   0.177741D+01  0.462200D+01  0.373794D+01 -0.277614D+01  0.606709D+01
      3  -0.155108D+01 -0.118455D+01  0.686577D+01 -0.128451D+02 -0.501256D+00
                31            32            33            34            35 
      1  -0.455318D+01  0.134907D+01 -0.232458D+01 -0.129803D+01  0.297938D+01
      2  -0.918936D+00  0.704072D+00 -0.155588D-02  0.285434D+01  0.152914D+01
      3  -0.832730D+01  0.395768D+01  0.311939D+01 -0.209440D+01  0.154167D+01
                36            37            38            39            40 
      1   0.212362D+01 -0.570082D+00 -0.492614D-01 -0.459933D-01  0.135951D+01
      2  -0.584354D+01  0.136049D+01  0.202185D+01  0.307499D+01  0.204488D+01
      3  -0.169833D+01  0.672905D+01 -0.714692D+01 -0.177434D+01  0.109614D+01
                41            42            43            44            45 
      1   0.512059D+00 -0.205422D+01 -0.848225D+00  0.211733D+01 -0.214692D+01
      2   0.169002D+01 -0.507720D+01 -0.697279D+01 -0.401890D+01  0.109812D+02
      3   0.426036D+01 -0.213756D+01 -0.157586D+01 -0.320607D+01  0.413910D+01
                46            47            48            49            50 
      1  -0.137904D+01  0.367767D+00  0.196724D+01  0.107601D+01  0.642907D+01
      2  -0.560133D+00 -0.135033D+00  0.343483D+01  0.237695D+00  0.537311D+00
      3   0.108847D+02 -0.707382D+01  0.115069D+01  0.372973D+01  0.853203D+00
                51            52            53            54            55 
      1  -0.190746D+01  0.158851D+01  0.874168D+01  0.559047D+01 -0.657225D+00
      2   0.817903D+00 -0.342003D+01  0.596918D+00  0.961780D-01  0.141624D+01
      3  -0.130639D+01  0.154624D+01 -0.644445D+00 -0.265580D+01 -0.115790D+01
                56            57            58            59            60 
      1   0.136966D+01  0.434776D+01 -0.190655D+00 -0.269107D+01 -0.912606D+01
      2  -0.317457D+00  0.635176D+01  0.395246D+01  0.210220D+01 -0.592437D+01
      3  -0.729267D+01  0.927013D+00  0.533146D+01  0.168911D+02 -0.159671D+01
                61            62            63            64            65 
      1  -0.151351D+00  0.227710D+01  0.231674D+01 -0.210159D+00 -0.496850D+00
      2   0.180030D+01 -0.439143D+01  0.198283D+01  0.326349D-01  0.124316D+00
      3  -0.826489D+00 -0.142407D+01  0.446958D+01 -0.802971D+00 -0.407909D+00
                66            67            68            69            70 
      1  -0.163187D+00  0.147281D+00 -0.142264D+01 -0.267856D+00 -0.198367D+00
      2   0.507810D+00  0.814370D+00  0.780784D-02  0.641111D+00 -0.275522D+01
      3   0.351943D+00  0.190138D+01 -0.219959D+00  0.779586D-01 -0.752187D+00
                71            72            73            74            75 
      1   0.349471D+01  0.707843D+00 -0.146880D+01 -0.662747D+00  0.552197D+00
      2   0.481601D+00 -0.127636D+01  0.197141D+01  0.282284D+00 -0.973056D+00
      3   0.926319D+00 -0.359403D+00  0.177678D+00 -0.720403D+00  0.688728D+00
                76            77            78            79            80 
      1  -0.399462D+00 -0.127448D+01  0.108406D+01  0.264830D+00  0.347046D+01
      2   0.106155D+01  0.160132D+01 -0.169947D+01 -0.391247D+01 -0.511384D+00
      3   0.368379D+00 -0.101882D+00 -0.120856D+01  0.712842D+00 -0.984414D+00
                81            82            83            84            85 
      1  -0.636726D+01  0.133507D+01 -0.399910D+00  0.615320D+00 -0.221376D+00
      2   0.850029D+01  0.357048D+00 -0.600130D+00  0.431316D+00 -0.905134D+00
      3  -0.505993D-01 -0.378521D+01  0.153209D+01 -0.301025D+00  0.492018D+01
                86            87            88            89            90 
      1   0.437827D+01 -0.306492D+01  0.433900D+00 -0.451158D+00  0.881053D-01
      2   0.128934D+01  0.854515D+00 -0.830330D+00  0.928031D+00  0.621124D+00
      3  -0.893442D+01 -0.675306D+00 -0.122516D+01  0.273858D+00 -0.133186D+01
                91            92            93            94            95 
      1  -0.375028D+01  0.379696D+01  0.423434D+00  0.419897D+01 -0.286676D+01
      2  -0.375538D+01  0.252165D+01 -0.162198D+01  0.191359D+01 -0.292378D+01
      3  -0.868375D+01  0.849155D+01  0.154277D+01  0.102327D+02 -0.103281D+02
                96            97            98            99           100 
      1  -0.206206D+01  0.677906D-01  0.737035D+00  0.110563D+01  0.240359D+01
      2   0.204367D+01 -0.187397D+01  0.155441D+01  0.113822D+00  0.937356D+00
      3  -0.734899D+00  0.102051D+01 -0.751661D-01 -0.652748D+00 -0.129682D+02
               101           102           103           104           105 
      1  -0.913039D+00  0.246511D+01 -0.137436D+00  0.756517D+00 -0.943386D+00
      2  -0.422279D+00  0.189941D+01 -0.698755D-01  0.431988D+00 -0.746727D+00
      3   0.728736D-01 -0.163591D+01  0.222333D+01 -0.198680D+01 -0.505678D+00
               106           107           108           109           110 
      1   0.455096D+00 -0.336706D+00  0.842370D+00 -0.382100D+00 -0.822523D+00
      2  -0.363389D+00 -0.464930D+00  0.376095D+00 -0.346932D+00 -0.135797D+00
      3  -0.333308D+01 -0.739294D-01  0.212018D-01  0.830878D+00  0.994589D+00
               111           112           113           114           115 
      1  -0.252361D+01 -0.325336D-02 -0.318325D+01 -0.541069D+01 -0.110328D+01
      2  -0.237419D+00 -0.522274D+00 -0.797465D+00 -0.838711D+00 -0.185411D+01
      3   0.480295D+00  0.261897D+01  0.136287D+01  0.751227D+00  0.186178D+01
               116           117           118           119           120 
      1  -0.413357D+01 -0.724588D+01  0.380401D+00 -0.467222D-01 -0.431504D+00
      2  -0.101300D+01 -0.973766D+00 -0.385588D+01 -0.139434D+01  0.500367D+01
      3   0.148415D+01  0.228526D+01 -0.111631D+01 -0.219234D+01  0.935615D+00
               121           122           123           124           125 
      1   0.149739D+00 -0.181111D+00 -0.117164D+01 -0.855656D-01  0.101648D+01
      2  -0.263195D+01 -0.283960D+01  0.509909D+01  0.600463D+01  0.388030D+01
      3  -0.105571D+01 -0.199148D+01  0.254043D+01  0.140972D+01  0.412324D+01
               126 
      1   0.172432D+01
      2  -0.126376D+02
      3  -0.332907D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.181218D+02 -0.137061D+01 -0.174235D+01  0.456233D+01  0.151564D+02
      2   0.864452D+01  0.414639D+01 -0.152830D+01 -0.603414D+00 -0.206431D+02
      3   0.947729D+01 -0.277577D+01  0.327064D+01 -0.395891D+01  0.548666D+01
      4   0.142437D+01 -0.194632D-01  0.133764D+01  0.779603D+01 -0.677745D+01
      5  -0.362875D+00  0.377553D+00 -0.192667D+01  0.146567D+01  0.951622D+00
      6   0.265397D+01  0.200216D+01  0.226072D+01  0.145864D+01 -0.423406D+00
                 6             7             8             9            10 
      1  -0.437052D+00  0.401856D+01 -0.283289D+00  0.126622D+02 -0.430584D+01
      2  -0.230141D+01 -0.274228D+01 -0.116740D+01  0.385957D+01  0.391004D+01
      3   0.273847D+01 -0.127628D+01  0.145069D+01 -0.165218D+02  0.395799D+00
      4   0.739516D+00  0.438933D+01  0.288265D+01  0.550555D+01 -0.433448D+01
      5   0.291656D+01  0.481799D+01  0.240045D+01 -0.998662D+01  0.517124D+00
      6   0.253697D+01  0.251854D+01  0.151238D+01 -0.240615D+01 -0.976007D+00
                11            12            13            14            15 
      1  -0.184717D+01 -0.950788D+00  0.102882D+01  0.400126D+01 -0.467231D+01
      2   0.339121D+01 -0.973333D+00  0.100112D+01 -0.348160D+01 -0.344367D+01
      3  -0.154404D+01  0.192412D+01 -0.202994D+01 -0.519658D+00  0.811598D+01
      4   0.201320D+01 -0.286034D+01 -0.786694D+01 -0.149604D+00  0.112680D+01
      5  -0.959497D+00  0.176056D+01  0.316393D+00  0.135991D+01 -0.168587D+01
      6  -0.160019D+01 -0.710786D-01  0.176385D+01  0.924615D+00 -0.818625D+01
                16            17            18            19            20 
      1  -0.373723D+01 -0.387896D+01  0.334413D+01 -0.265966D+01 -0.592007D+01
      2  -0.848312D+00 -0.321871D+01  0.116196D+02 -0.141448D+01  0.864730D+01
      3   0.458554D+01  0.709767D+01 -0.149637D+02  0.407414D+01 -0.272723D+01
      4  -0.276743D+01 -0.212158D+01 -0.391444D+01  0.704850D+01 -0.152956D+02
      5  -0.209453D+01 -0.222121D+01  0.686641D+01 -0.160123D+01  0.654496D+01
      6  -0.275843D+01 -0.957282D-01  0.517207D+01  0.935624D+00  0.145147D+00
                21            22            23            24            25 
      1  -0.102432D+01  0.522555D+01  0.231611D+00  0.109286D+00 -0.300720D+01
      2  -0.313738D+01 -0.172639D+01 -0.127913D+02 -0.564024D+01  0.546975D+00
      3   0.416170D+01 -0.349916D+01  0.125597D+02  0.553096D+01  0.246022D+01
      4   0.548480D+01 -0.220948D+02  0.204863D+02 -0.321786D+01  0.930334D+01
      5  -0.869904D+01  0.100044D+02 -0.423160D+01  0.724450D+01 -0.205291D+01
      6   0.368231D+01 -0.939320D+00  0.445055D+01 -0.855532D+01  0.863433D+00
                26            27            28            29            30 
      1   0.288248D+01 -0.366338D+01  0.294355D+02  0.349154D+01 -0.481869D+01
      2   0.318263D+01 -0.184762D+01 -0.180649D+02  0.114666D+01  0.724450D+01
      3  -0.606511D+01  0.551100D+01 -0.113706D+02 -0.463820D+01 -0.242581D+01
      4   0.130621D+01  0.277007D+01  0.164356D+02  0.164992D+02 -0.553048D+01
      5   0.169422D+01  0.299298D+01 -0.103148D+02 -0.407986D+01  0.138068D+02
      6   0.335037D+01  0.526461D+01 -0.296403D+01 -0.205008D+01  0.428775D+01
                31            32            33            34            35 
      1  -0.502646D+01  0.588479D+01  0.206884D+01 -0.439663D+00  0.285582D-03
      2   0.685336D+01  0.149686D+01 -0.721583D-01  0.221996D+01  0.317581D+00
      3  -0.182690D+01 -0.738166D+01 -0.199668D+01 -0.178030D+01 -0.317866D+00
      4   0.136887D+02  0.882149D+01 -0.178279D+01 -0.486087D+01 -0.422442D+01
      5  -0.139977D+01 -0.357267D+01  0.143513D+01  0.130776D+02  0.573654D+01
      6  -0.563665D+00 -0.215758D+01  0.744920D+01  0.246137D+01  0.620573D+01
                36            37            38            39            40 
      1   0.696502D-01  0.471392D+02 -0.249658D+01  0.656294D+01 -0.120452D+02
      2  -0.945158D+01 -0.242604D+02  0.112024D+01 -0.333657D+01  0.786732D+01
      3   0.938193D+01 -0.228789D+02  0.137633D+01 -0.322637D+01  0.417791D+01
      4   0.642882D+01  0.199886D+01  0.104445D+02  0.439002D+01  0.727499D+01
      5  -0.135027D+02  0.931860D+01  0.326903D+01  0.556777D+01  0.366870D+01
      6  -0.434111D+01  0.147239D+01  0.672036D+00 -0.897449D+00  0.241189D+01
                41            42            43            44            45 
      1   0.139549D+01  0.284661D+01  0.103184D+02  0.224155D+01 -0.408698D+01
      2   0.385737D+01 -0.957732D+00 -0.704234D+01 -0.472696D+00 -0.195247D+01
      3  -0.525287D+01 -0.188888D+01 -0.327604D+01 -0.176885D+01  0.603945D+01
      4  -0.296553D+01  0.473995D+01  0.641655D+01  0.578145D+01 -0.792993D+01
      5   0.461108D+01 -0.872282D+01  0.134403D+01 -0.755735D+01  0.195166D+02
      6   0.194532D+01  0.164906D+01 -0.179893D+01  0.180223D+01  0.549187D+01
                46            47            48            49            50 
      1   0.628600D+00  0.322492D+01 -0.204136D+01  0.178154D+01 -0.113080D+02
      2  -0.291374D+01 -0.101203D+01  0.230547D+01 -0.142100D+01  0.210781D+02
      3   0.228514D+01 -0.221289D+01 -0.264109D+00 -0.360543D+00 -0.977005D+01
      4   0.127453D+02 -0.214968D+01  0.973818D+00  0.410220D+01 -0.179936D+01
      5  -0.123917D+01 -0.615546D+00  0.544761D+01 -0.419932D+00 -0.786657D-01
      6   0.149754D+01 -0.965558D+00 -0.465856D+01 -0.357832D+01 -0.100323D+02
                51            52            53            54            55 
      1   0.724961D+01 -0.502462D+00  0.925277D+01  0.477786D+01  0.222853D+02
      2  -0.569797D+01  0.197553D+01 -0.924959D+01 -0.866212D+01 -0.801001D+01
      3  -0.155164D+01 -0.147307D+01 -0.317792D-02  0.388426D+01 -0.142753D+02
      4  -0.122244D+01  0.182612D+01  0.133134D+01 -0.154934D+01 -0.233356D+02
      5   0.820548D+00  0.440149D+01  0.700096D+00 -0.854780D+00  0.878501D+01
      6  -0.705797D-01 -0.362583D+01 -0.677543D+01 -0.126705D+02 -0.248655D+01
                56            57            58            59            60 
      1  -0.812597D+01  0.297338D+01 -0.947226D+01 -0.995404D+01  0.191297D+01
      2  -0.279826D+01 -0.241807D+01 -0.139678D+01  0.305393D+02 -0.871902D-01
      3   0.109242D+02 -0.555308D+00  0.108690D+02 -0.205852D+02 -0.182578D+01
      4   0.250834D+02 -0.544712D+01  0.286571D+02 -0.432661D+02  0.705889D+01
      5  -0.620998D+01  0.129402D+02 -0.578030D+01  0.906705D+01 -0.128008D+02
      6   0.187526D+01 -0.591890D+01  0.376650D+01 -0.523254D+01  0.137596D+02
                61            62            63            64            65 
      1   0.373005D+01  0.144000D+01 -0.136940D+01  0.489165D+00  0.481249D+00
      2  -0.227120D+01 -0.142392D+01 -0.174292D+01 -0.410621D+01 -0.114225D+01
      3  -0.145885D+01 -0.160871D-01  0.311231D+01  0.361705D+01  0.661004D+00
      4  -0.473236D+01  0.463867D+01 -0.117518D+02  0.122034D+01  0.204213D+01
      5   0.132590D+02 -0.115828D+02  0.926549D+01 -0.269062D+01 -0.154918D+01
      6  -0.584669D+01  0.115495D+02 -0.568996D+01 -0.159051D+01 -0.551344D+00
                66            67            68            69            70 
      1  -0.239007D+00 -0.183594D+00 -0.397630D+01  0.364198D+01  0.105918D+01
      2   0.193954D+01 -0.104942D+01 -0.893114D+00  0.256518D+01  0.228501D+01
      3  -0.170054D+01  0.123301D+01  0.486942D+01 -0.620716D+01 -0.334419D+01
      4  -0.965543D+00  0.364913D+01  0.182140D+01 -0.176999D+01 -0.122251D+01
      5   0.684892D+01 -0.188629D+01 -0.180686D+01  0.240847D+01  0.593685D+01
      6   0.570184D+00 -0.127750D+01 -0.488264D+01  0.829922D+01  0.141823D+01
                71            72            73            74            75 
      1   0.282670D+01 -0.158266D+02  0.276549D+00 -0.633800D+00  0.402556D+01
      2   0.434506D+01 -0.164476D+02 -0.348084D+01 -0.214152D-01 -0.260256D+00
      3  -0.717176D+01  0.322742D+02  0.320429D+01  0.655215D+00 -0.376531D+01
      4  -0.145701D+01  0.205545D+01 -0.741182D+00  0.208048D+00  0.720333D+00
      5   0.161752D+01 -0.698153D+01  0.936750D+00 -0.477981D+00  0.420086D+01
      6   0.621355D+01 -0.736705D+01  0.102999D+00 -0.844399D+00 -0.719055D+00
                76            77            78            79            80 
      1  -0.234810D+01 -0.431077D+01  0.168799D+01  0.464840D+01  0.114453D+00
      2   0.105893D+01  0.157061D+01  0.270090D+01 -0.175120D+01  0.187228D+01
      3   0.128917D+01  0.274016D+01 -0.438889D+01 -0.289720D+01 -0.198674D+01
      4  -0.773823D+00 -0.645703D+00  0.243316D+01  0.132116D+01  0.217690D+01
      5  -0.694352D+00  0.200520D+01 -0.285829D+01  0.431706D+01 -0.437332D+00
      6   0.663345D-02 -0.810155D+00  0.383582D+01 -0.109386D+00  0.423362D+01
                81            82            83            84            85 
      1  -0.171214D+02 -0.149805D+01  0.495380D+01  0.150800D+00  0.536138D+01
      2  -0.126921D+02  0.414176D+01 -0.452840D+01  0.212238D+00 -0.399079D+01
      3   0.298135D+02 -0.264370D+01 -0.425399D+00 -0.363038D+00 -0.137060D+01
      4  -0.201002D+01  0.836497D+00  0.392293D+01 -0.126328D+00  0.444217D+01
      5   0.140171D+02 -0.501589D+00  0.699250D+00  0.512305D+00  0.751093D+00
      6   0.531940D+01  0.176781D+00 -0.683416D+00 -0.843302D+00 -0.462134D+00
                86            87            88            89            90 
      1  -0.209608D+02 -0.204130D+01 -0.139782D+01  0.216901D+00 -0.476270D+01
      2   0.340177D+02  0.129906D+01  0.121104D+01 -0.135981D+01  0.296474D+01
      3  -0.130569D+02  0.742245D+00  0.186782D+00  0.114291D+01  0.179796D+01
      4   0.143886D+02  0.743864D+00 -0.782971D+00 -0.109579D+01  0.113722D+01
      5   0.200446D+00  0.163552D+01  0.264306D+00  0.185996D+01  0.706276D+00
      6   0.511251D+01  0.543528D+01 -0.759524D+00  0.567138D+01  0.330225D+00
                91            92            93            94            95 
      1  -0.106139D+02  0.385432D+01  0.967874D+00  0.907882D+01 -0.768921D+01
      2   0.865051D+01 -0.159524D+01 -0.257239D+01 -0.525936D+01  0.924149D+01
      3   0.196335D+01 -0.225909D+01  0.160451D+01 -0.381946D+01 -0.155228D+01
      4  -0.169192D+01 -0.224283D+01  0.207274D+01  0.475372D+01  0.996316D+01
      5   0.281809D+01  0.504634D+00 -0.348688D+01 -0.245920D+01 -0.180030D+01
      6   0.217986D+01  0.412262D+00  0.221961D-01 -0.228294D+01 -0.442431D+01
                96            97            98            99           100 
      1   0.783558D+00  0.115282D+01  0.237378D+01 -0.279961D+01  0.110725D+02
      2  -0.371979D+00 -0.882784D+00 -0.205733D+01  0.118728D+01 -0.788667D+00
      3  -0.411579D+00 -0.270041D+00 -0.316454D+00  0.161232D+01 -0.102838D+02
      4  -0.391553D+01  0.316146D+00 -0.135715D+01  0.127659D+01 -0.195502D+02
      5   0.408454D+01  0.872627D+00  0.134741D+01 -0.668398D+00 -0.652870D+00
      6   0.367860D+01  0.200424D+00  0.336086D+01 -0.366910D+01 -0.167029D+01
               101           102           103           104           105 
      1   0.796387D+00  0.243888D+01 -0.945943D+00  0.565707D+00 -0.105245D+00
      2  -0.678952D+01 -0.496633D+00 -0.301439D+01  0.326789D+01 -0.318030D+00
      3   0.599313D+01 -0.194225D+01  0.396033D+01 -0.383360D+01  0.423275D+00
      4   0.124295D+02 -0.196704D+01  0.902897D+01 -0.604061D+01  0.401657D+00
      5   0.454886D+00  0.236572D+01  0.622260D+00 -0.951865D-01 -0.992128D+00
      6  -0.886975D+00 -0.376995D+01 -0.374492D+00  0.243285D+00  0.228452D+01
               106           107           108           109           110 
      1   0.104795D+01 -0.205505D+00  0.297713D+00 -0.135251D+01 -0.223938D+01
      2  -0.370479D+00 -0.560945D+00 -0.147577D+00  0.153670D+01  0.206701D+01
      3  -0.677471D+00  0.766450D+00 -0.150136D+00 -0.184193D+00  0.172367D+00
      4  -0.394287D+01  0.861150D+00 -0.182942D+01  0.513438D+00  0.403279D+01
      5   0.270854D+01 -0.124188D+01  0.288523D+00  0.591855D+00  0.201737D+01
      6  -0.128888D+01  0.275058D+01 -0.984100D+00  0.292206D+01  0.303557D+01
               111           112           113           114           115 
      1  -0.203811D+01 -0.168327D+01 -0.127399D+02 -0.818660D+01 -0.189870D+01
      2   0.659040D+00  0.131899D+01  0.151003D+02  0.809373D+01  0.554032D+00
      3   0.137907D+01  0.364281D+00 -0.236040D+01  0.928742D-01  0.134467D+01
      4   0.290889D+01  0.372544D+01 -0.150403D+01 -0.633170D+00  0.288928D+01
      5   0.214246D+01  0.931313D+00 -0.112701D+01 -0.174834D+01  0.224823D+01
      6   0.448312D+01  0.785061D+00  0.153646D+02  0.144075D+02  0.273696D+01
               116           117           118           119           120 
      1  -0.125544D+02 -0.133768D+02  0.126537D+02  0.355045D+01 -0.671438D+01
      2   0.104974D+02  0.644647D+01 -0.655872D+01 -0.149125D+01  0.358693D+01
      3   0.205696D+01  0.693034D+01 -0.609494D+01 -0.205920D+01  0.312746D+01
      4  -0.999720D+00  0.441995D+00  0.571981D+01  0.478009D+01 -0.366270D+01
      5  -0.168523D+01 -0.110206D+01 -0.744144D+01 -0.264694D+01  0.927741D+01
      6   0.185192D+02  0.194052D+02 -0.225385D+01 -0.560477D+00  0.157200D+01
               121           122           123           124           125 
      1   0.580686D+01  0.253833D+01 -0.307747D+01 -0.137675D+02 -0.264591D+01
      2  -0.191911D+01 -0.295357D-01  0.669786D+00  0.834082D+01  0.107628D+01
      3  -0.388775D+01 -0.250879D+01  0.240769D+01  0.542667D+01  0.156963D+01
      4   0.768871D+01  0.595677D+01 -0.653923D+01 -0.815292D+01 -0.772269D+01
      5  -0.511994D+01 -0.548301D+01  0.826303D+01  0.149713D+02  0.765895D+01
      6  -0.255138D+01 -0.274919D+01  0.423446D+01  0.427802D+01  0.345000D+01
               126 
      1   0.801664D+01
      2  -0.697238D+01
      3  -0.104426D+01
      4   0.936921D+01
      5  -0.223944D+02
      6  -0.652677D+01
 Leave Link  716 at Thu Aug 12 21:41:48 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.640716D+02 -0.171069D+01 -0.183717D+01
      2  -0.171069D+01  0.617482D+02 -0.267130D+01
      3  -0.183717D+01 -0.267130D+01  0.507580D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.240032D+01  0.752848D+00 -0.735685D+00
      2  -0.220514D+01 -0.550577D+01 -0.969972D+01
      3   0.641537D+01 -0.213798D+01  0.379039D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.289753D+02 -0.121918D+02 -0.803673D+01
      2   0.183884D+02  0.885460D+01  0.409777D+01
      3   0.105869D+02  0.333720D+01  0.393896D+01
      4  -0.106184D+02  0.848901D+01 -0.147169D+02
      5  -0.930269D+00 -0.158651D+02 -0.146863D+02
      6  -0.666421D+01  0.967551D+01  0.499505D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.826856D+00 -0.138993D+01 -0.101905D+01 -0.353674D+01 -0.201794D+01
      2  -0.138993D+01 -0.262657D+01 -0.501368D+00 -0.201794D+01  0.510382D+01
      3  -0.101905D+01 -0.501368D+00 -0.231485D+01 -0.676083D+00 -0.381648D+00
                 6             7             8             9            10 
      1  -0.676083D+00 -0.304231D+01 -0.535226D+00 -0.187111D+01  0.348086D+00
      2  -0.381648D+00 -0.535226D+00 -0.107172D+01 -0.151706D+01  0.204238D+01
      3  -0.187271D+01 -0.187111D+01 -0.151706D+01  0.560156D+01  0.200161D+01
                11            12            13            14            15 
      1   0.204238D+01  0.200161D+01  0.344031D+01  0.127038D+01  0.349700D+00
      2   0.142288D+01  0.210937D+00  0.127038D+01 -0.210052D+01 -0.394930D+00
      3   0.210937D+00  0.120684D+01  0.349700D+00 -0.394930D+00  0.269393D+01
                16            17            18            19            20 
      1   0.299719D+01 -0.278405D-01  0.189810D+01  0.105269D+01 -0.140691D+00
      2  -0.278405D-01 -0.308210D-01  0.316081D+01 -0.140691D+00 -0.197402D+01
      3   0.189810D+01  0.316081D+01 -0.565278D+01 -0.128364D+01  0.119669D+01
                21            22            23            24            25 
      1  -0.128364D+01  0.209654D+01 -0.230754D+01  0.125495D+01 -0.866860D-01
      2   0.119669D+01 -0.230754D+01  0.439863D+01 -0.812479D+00  0.157660D+01
      3  -0.824535D-01  0.125495D+01 -0.812479D+00  0.350250D+00 -0.141208D+00
                26            27            28            29            30 
      1   0.157660D+01 -0.141208D+00  0.618689D+01  0.880004D+00 -0.213761D+01
      2  -0.677800D+00 -0.424703D+00  0.880004D+00  0.293084D+01 -0.528007D+00
      3  -0.424703D+00  0.445334D+00 -0.213761D+01 -0.528007D+00  0.139202D+01
                31            32            33            34            35 
      1  -0.163177D+01  0.315068D+01  0.513190D+00 -0.178170D+01 -0.750456D+00
      2   0.315068D+01  0.471302D+00 -0.595470D+00 -0.750456D+00 -0.390906D+00
      3   0.513190D+00 -0.595470D+00  0.504987D-01  0.140508D+01  0.136864D+01
                36            37            38            39            40 
      1   0.140508D+01 -0.700409D+01  0.526837D+00 -0.136552D+01  0.240082D+01
      2   0.136864D+01  0.526837D+00 -0.692985D-01 -0.407693D+00 -0.779519D+00
      3  -0.264272D+01 -0.136552D+01 -0.407693D+00  0.939491D+00 -0.729947D+00
                41            42            43            44            45 
      1  -0.779519D+00 -0.729947D+00 -0.273765D+01 -0.700455D+00  0.429140D+00
      2   0.668541D+00 -0.619793D+00 -0.700455D+00 -0.109530D+01  0.139605D+01
      3  -0.619793D+00  0.182645D+01  0.429140D+00  0.139605D+01 -0.373592D+01
                46            47            48            49            50 
      1   0.399701D+01 -0.515317D+00 -0.126276D-01 -0.482127D+00 -0.329620D+00
      2  -0.515317D+00  0.295471D+00 -0.533766D-01 -0.329620D+00  0.331257D+01
      3  -0.126276D-01 -0.533766D-01 -0.106218D+01 -0.401348D+00 -0.141177D+01
                51            52            53            54            55 
      1  -0.401348D+00  0.400771D-01 -0.316603D+00 -0.113165D+01  0.485850D+01
      2  -0.141177D+01 -0.316603D+00 -0.329552D+01 -0.193431D+01 -0.378944D+01
      3  -0.189612D+01 -0.113165D+01 -0.193431D+01 -0.215927D+01  0.141821D+01
                56            57            58            59            60 
      1  -0.378944D+01  0.141821D+01 -0.518450D+01  0.345634D+01 -0.703389D+00
      2   0.340846D+01 -0.941459D+00  0.345634D+01 -0.106652D+02  0.169328D+01
      3  -0.941459D+00  0.121686D+01 -0.703389D+00  0.169328D+01 -0.249918D+01
                61            62            63            64            65 
      1   0.116124D+01 -0.655884D+00  0.188565D+01 -0.499694D+00 -0.783279D+00
      2  -0.655884D+00  0.124352D+01 -0.278049D+01 -0.783279D+00 -0.532040D+00
      3   0.188565D+01 -0.278049D+01  0.215942D+01  0.118795D+01  0.780005D-01
                66            67            68            69            70 
      1   0.118795D+01 -0.121440D+01 -0.566393D+00  0.193163D+00  0.124863D+01
      2   0.780005D-01 -0.566393D+00 -0.129445D+01  0.166219D+01  0.154901D+00
      3  -0.102320D+01  0.193163D+00  0.166219D+01 -0.194823D+01 -0.918766D+00
                71            72            73            74            75 
      1   0.154901D+00 -0.918766D+00  0.113923D+00  0.392237D+00 -0.101433D+01
      2   0.212890D+01 -0.187829D+01  0.392237D+00  0.343976D+00  0.710475D-01
      3  -0.187829D+01  0.786198D+01 -0.101433D+01  0.710475D-01  0.955645D+00
                76            77            78            79            80 
      1   0.114432D+01  0.394483D+00  0.707410D-01 -0.146720D+01 -0.817040D-01
      2   0.394483D+00  0.924656D-01 -0.104628D+01 -0.817040D-01 -0.119810D+01
      3   0.707410D-01 -0.104628D+01  0.151873D+01  0.133774D+00  0.232123D+00
                81            82            83            84            85 
      1   0.133774D+00  0.814657D+00 -0.105302D+01  0.174772D+00 -0.140131D+01
      2   0.232123D+00 -0.105302D+01  0.950119D+00  0.192137D+00  0.452628D+00
      3  -0.779448D+01  0.174772D+00  0.192137D+00  0.447625D+00  0.850695D-01
                86            87            88            89            90 
      1   0.452628D+00  0.850695D-01  0.889973D+00  0.900612D-01  0.315992D+00
      2  -0.805397D+01 -0.528696D+00  0.900612D-01  0.456189D+00 -0.946844D+00
      3  -0.528696D+00 -0.953517D+00  0.315992D+00 -0.946844D+00 -0.439393D+00
                91            92            93            94            95 
      1  -0.277932D+01  0.158604D+01  0.100143D+01  0.333310D+01 -0.491496D+00
      2   0.158604D+01 -0.129689D+01  0.269406D-01 -0.491496D+00  0.377128D+01
      3   0.100143D+01  0.269406D-01 -0.412407D+00 -0.942788D+00 -0.855916D+00
                96            97            98            99           100 
      1  -0.942788D+00  0.227112D+00 -0.146562D+00  0.204594D+00 -0.601373D+01
      2  -0.855916D+00 -0.146562D+00 -0.823422D+00  0.738727D+00  0.203819D+01
      3   0.138418D+01  0.204594D+00  0.738727D+00 -0.125598D+01 -0.698377D+00
               101           102           103           104           105 
      1   0.203819D+01 -0.698377D+00  0.179953D+01 -0.144647D+01 -0.418582D-01
      2  -0.289912D+01 -0.404179D-01 -0.144647D+01  0.130593D+01 -0.174454D-01
      3  -0.404179D-01 -0.100013D+01 -0.418582D-01 -0.174454D-01  0.498077D+00
               106           107           108           109           110 
      1  -0.145930D+01  0.149464D+00 -0.380952D+00  0.424225D+00  0.786774D+00
      2   0.149464D+00 -0.401610D+00  0.568870D+00  0.786774D+00  0.773423D+00
      3  -0.380952D+00  0.568870D+00 -0.332594D+00  0.516048D+00  0.347809D+00
               111           112           113           114           115 
      1   0.516048D+00  0.742071D+00  0.232202D+00  0.846524D-01  0.770608D+00
      2   0.347809D+00  0.232202D+00  0.398642D+01  0.231313D+01  0.332861D+00
      3   0.119708D+01  0.846524D-01  0.231313D+01  0.256247D+01  0.643038D+00
               116           117           118           119           120 
      1   0.332861D+00  0.643038D+00 -0.232599D+01 -0.580792D+00  0.123114D+01
      2   0.374967D+01  0.332133D+01 -0.580792D+00 -0.727223D+00  0.348763D+00
      3   0.332133D+01  0.385256D+01  0.123114D+01  0.348763D+00 -0.146034D+01
               121           122           123           124           125 
      1  -0.150584D+01 -0.101773D+01  0.943951D+00  0.324001D+01  0.910841D+00
      2  -0.101773D+01 -0.996795D+00  0.995833D+00  0.910841D+00  0.140693D+01
      3   0.943951D+00  0.995833D+00 -0.171483D+01 -0.247168D+01 -0.130487D+01
               126 
      1  -0.247168D+01
      2  -0.130487D+01
      3   0.409227D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.614713D+00  0.114811D+01 -0.148450D+01 -0.968559D+00 -0.559960D+01
      2   0.941599D+00  0.150341D+00  0.176581D+01  0.117908D+01 -0.929601D+00
      3  -0.231333D+01  0.224418D+00  0.506579D+00  0.448561D+01  0.778428D+01
                 6             7             8             9            10 
      1  -0.394761D+01 -0.889597D+00  0.137894D+01  0.600480D+01  0.873509D+00
      2   0.144949D+01 -0.219606D+01  0.392753D+00 -0.664332D+01  0.622893D+01
      3   0.870526D+00  0.112168D+01 -0.270344D+00 -0.160646D-01 -0.688365D+00
                11            12            13            14            15 
      1   0.765995D-01 -0.221586D+00 -0.214615D+01 -0.913572D+00  0.879941D+00
      2   0.193714D+00  0.358756D+01 -0.192261D+01 -0.157750D+00 -0.735760D+00
      3  -0.638384D+01 -0.149816D+01  0.164162D+00 -0.205842D+01  0.164932D+01
                16            17            18            19            20 
      1   0.445945D+00  0.375202D+01  0.389963D+00  0.150807D+01  0.103722D+01
      2  -0.505377D+01  0.113956D+00  0.999679D+00 -0.938270D+01 -0.847734D+00
      3  -0.971621D+00 -0.119711D+00  0.363290D+00  0.687948D+01  0.187070D+01
                21            22            23            24            25 
      1  -0.304806D+01  0.260593D+01  0.604225D+01  0.493240D+01  0.466789D+00
      2  -0.390771D+01 -0.423285D+01 -0.715875D+00  0.411802D+01 -0.134617D+02
      3   0.464448D+00  0.434552D+01 -0.103433D+02 -0.176239D+01  0.310603D+01
                26            27            28            29            30 
      1   0.583310D+01 -0.647120D+01  0.253177D+01 -0.440526D+01 -0.245262D+01
      2   0.177741D+01  0.462200D+01  0.373794D+01 -0.277614D+01  0.606709D+01
      3  -0.155108D+01 -0.118455D+01  0.686577D+01 -0.128451D+02 -0.501256D+00
                31            32            33            34            35 
      1  -0.455318D+01  0.134907D+01 -0.232458D+01 -0.129803D+01  0.297938D+01
      2  -0.918936D+00  0.704072D+00 -0.155588D-02  0.285434D+01  0.152914D+01
      3  -0.832730D+01  0.395768D+01  0.311939D+01 -0.209440D+01  0.154167D+01
                36            37            38            39            40 
      1   0.212362D+01 -0.570082D+00 -0.492614D-01 -0.459933D-01  0.135951D+01
      2  -0.584354D+01  0.136049D+01  0.202185D+01  0.307499D+01  0.204488D+01
      3  -0.169833D+01  0.672905D+01 -0.714692D+01 -0.177434D+01  0.109614D+01
                41            42            43            44            45 
      1   0.512059D+00 -0.205422D+01 -0.848225D+00  0.211733D+01 -0.214692D+01
      2   0.169002D+01 -0.507720D+01 -0.697279D+01 -0.401890D+01  0.109812D+02
      3   0.426036D+01 -0.213756D+01 -0.157586D+01 -0.320607D+01  0.413910D+01
                46            47            48            49            50 
      1  -0.137904D+01  0.367767D+00  0.196724D+01  0.107601D+01  0.642907D+01
      2  -0.560133D+00 -0.135033D+00  0.343483D+01  0.237695D+00  0.537311D+00
      3   0.108847D+02 -0.707382D+01  0.115069D+01  0.372973D+01  0.853203D+00
                51            52            53            54            55 
      1  -0.190746D+01  0.158851D+01  0.874168D+01  0.559047D+01 -0.657225D+00
      2   0.817903D+00 -0.342003D+01  0.596918D+00  0.961780D-01  0.141624D+01
      3  -0.130639D+01  0.154624D+01 -0.644445D+00 -0.265580D+01 -0.115790D+01
                56            57            58            59            60 
      1   0.136966D+01  0.434776D+01 -0.190655D+00 -0.269107D+01 -0.912606D+01
      2  -0.317457D+00  0.635176D+01  0.395246D+01  0.210220D+01 -0.592437D+01
      3  -0.729267D+01  0.927013D+00  0.533146D+01  0.168911D+02 -0.159671D+01
                61            62            63            64            65 
      1  -0.151351D+00  0.227710D+01  0.231674D+01 -0.210159D+00 -0.496850D+00
      2   0.180030D+01 -0.439143D+01  0.198283D+01  0.326349D-01  0.124316D+00
      3  -0.826489D+00 -0.142407D+01  0.446958D+01 -0.802971D+00 -0.407909D+00
                66            67            68            69            70 
      1  -0.163187D+00  0.147281D+00 -0.142264D+01 -0.267856D+00 -0.198367D+00
      2   0.507810D+00  0.814370D+00  0.780784D-02  0.641111D+00 -0.275522D+01
      3   0.351943D+00  0.190138D+01 -0.219959D+00  0.779586D-01 -0.752187D+00
                71            72            73            74            75 
      1   0.349471D+01  0.707843D+00 -0.146880D+01 -0.662747D+00  0.552197D+00
      2   0.481601D+00 -0.127636D+01  0.197141D+01  0.282284D+00 -0.973056D+00
      3   0.926319D+00 -0.359403D+00  0.177678D+00 -0.720403D+00  0.688728D+00
                76            77            78            79            80 
      1  -0.399462D+00 -0.127448D+01  0.108406D+01  0.264830D+00  0.347046D+01
      2   0.106155D+01  0.160132D+01 -0.169947D+01 -0.391247D+01 -0.511384D+00
      3   0.368379D+00 -0.101882D+00 -0.120856D+01  0.712842D+00 -0.984414D+00
                81            82            83            84            85 
      1  -0.636726D+01  0.133507D+01 -0.399910D+00  0.615320D+00 -0.221376D+00
      2   0.850029D+01  0.357048D+00 -0.600130D+00  0.431316D+00 -0.905134D+00
      3  -0.505993D-01 -0.378521D+01  0.153209D+01 -0.301025D+00  0.492018D+01
                86            87            88            89            90 
      1   0.437827D+01 -0.306492D+01  0.433900D+00 -0.451158D+00  0.881053D-01
      2   0.128934D+01  0.854515D+00 -0.830330D+00  0.928031D+00  0.621124D+00
      3  -0.893442D+01 -0.675306D+00 -0.122516D+01  0.273858D+00 -0.133186D+01
                91            92            93            94            95 
      1  -0.375028D+01  0.379696D+01  0.423434D+00  0.419897D+01 -0.286676D+01
      2  -0.375538D+01  0.252165D+01 -0.162198D+01  0.191359D+01 -0.292378D+01
      3  -0.868375D+01  0.849155D+01  0.154277D+01  0.102327D+02 -0.103281D+02
                96            97            98            99           100 
      1  -0.206206D+01  0.677906D-01  0.737035D+00  0.110563D+01  0.240359D+01
      2   0.204367D+01 -0.187397D+01  0.155441D+01  0.113822D+00  0.937356D+00
      3  -0.734899D+00  0.102051D+01 -0.751661D-01 -0.652748D+00 -0.129682D+02
               101           102           103           104           105 
      1  -0.913039D+00  0.246511D+01 -0.137436D+00  0.756517D+00 -0.943386D+00
      2  -0.422279D+00  0.189941D+01 -0.698755D-01  0.431988D+00 -0.746727D+00
      3   0.728736D-01 -0.163591D+01  0.222333D+01 -0.198680D+01 -0.505678D+00
               106           107           108           109           110 
      1   0.455096D+00 -0.336706D+00  0.842370D+00 -0.382100D+00 -0.822523D+00
      2  -0.363389D+00 -0.464930D+00  0.376095D+00 -0.346932D+00 -0.135797D+00
      3  -0.333308D+01 -0.739294D-01  0.212018D-01  0.830878D+00  0.994589D+00
               111           112           113           114           115 
      1  -0.252361D+01 -0.325336D-02 -0.318325D+01 -0.541069D+01 -0.110328D+01
      2  -0.237419D+00 -0.522274D+00 -0.797465D+00 -0.838711D+00 -0.185411D+01
      3   0.480295D+00  0.261897D+01  0.136287D+01  0.751227D+00  0.186178D+01
               116           117           118           119           120 
      1  -0.413357D+01 -0.724588D+01  0.380401D+00 -0.467222D-01 -0.431504D+00
      2  -0.101300D+01 -0.973766D+00 -0.385588D+01 -0.139434D+01  0.500367D+01
      3   0.148415D+01  0.228526D+01 -0.111631D+01 -0.219234D+01  0.935615D+00
               121           122           123           124           125 
      1   0.149739D+00 -0.181111D+00 -0.117164D+01 -0.855656D-01  0.101648D+01
      2  -0.263195D+01 -0.283960D+01  0.509909D+01  0.600463D+01  0.388030D+01
      3  -0.105571D+01 -0.199148D+01  0.254043D+01  0.140972D+01  0.412324D+01
               126 
      1   0.172432D+01
      2  -0.126376D+02
      3  -0.332907D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.181218D+02 -0.137061D+01 -0.174235D+01  0.456233D+01  0.151564D+02
      2   0.864452D+01  0.414639D+01 -0.152830D+01 -0.603414D+00 -0.206431D+02
      3   0.947729D+01 -0.277577D+01  0.327064D+01 -0.395891D+01  0.548666D+01
      4   0.142437D+01 -0.194632D-01  0.133764D+01  0.779603D+01 -0.677745D+01
      5  -0.362875D+00  0.377553D+00 -0.192667D+01  0.146567D+01  0.951622D+00
      6   0.265397D+01  0.200216D+01  0.226072D+01  0.145864D+01 -0.423406D+00
                 6             7             8             9            10 
      1  -0.437052D+00  0.401856D+01 -0.283289D+00  0.126622D+02 -0.430584D+01
      2  -0.230141D+01 -0.274228D+01 -0.116740D+01  0.385957D+01  0.391004D+01
      3   0.273847D+01 -0.127628D+01  0.145069D+01 -0.165218D+02  0.395799D+00
      4   0.739516D+00  0.438933D+01  0.288265D+01  0.550555D+01 -0.433448D+01
      5   0.291656D+01  0.481799D+01  0.240045D+01 -0.998662D+01  0.517124D+00
      6   0.253697D+01  0.251854D+01  0.151238D+01 -0.240615D+01 -0.976007D+00
                11            12            13            14            15 
      1  -0.184717D+01 -0.950788D+00  0.102882D+01  0.400126D+01 -0.467231D+01
      2   0.339121D+01 -0.973333D+00  0.100112D+01 -0.348160D+01 -0.344367D+01
      3  -0.154404D+01  0.192412D+01 -0.202994D+01 -0.519658D+00  0.811598D+01
      4   0.201320D+01 -0.286034D+01 -0.786694D+01 -0.149604D+00  0.112680D+01
      5  -0.959497D+00  0.176056D+01  0.316393D+00  0.135991D+01 -0.168587D+01
      6  -0.160019D+01 -0.710786D-01  0.176385D+01  0.924615D+00 -0.818625D+01
                16            17            18            19            20 
      1  -0.373723D+01 -0.387896D+01  0.334413D+01 -0.265966D+01 -0.592007D+01
      2  -0.848312D+00 -0.321871D+01  0.116196D+02 -0.141448D+01  0.864730D+01
      3   0.458554D+01  0.709767D+01 -0.149637D+02  0.407414D+01 -0.272723D+01
      4  -0.276743D+01 -0.212158D+01 -0.391444D+01  0.704850D+01 -0.152956D+02
      5  -0.209453D+01 -0.222121D+01  0.686641D+01 -0.160123D+01  0.654496D+01
      6  -0.275843D+01 -0.957282D-01  0.517207D+01  0.935624D+00  0.145147D+00
                21            22            23            24            25 
      1  -0.102432D+01  0.522555D+01  0.231611D+00  0.109286D+00 -0.300720D+01
      2  -0.313738D+01 -0.172639D+01 -0.127913D+02 -0.564024D+01  0.546975D+00
      3   0.416170D+01 -0.349916D+01  0.125597D+02  0.553096D+01  0.246022D+01
      4   0.548480D+01 -0.220948D+02  0.204863D+02 -0.321786D+01  0.930334D+01
      5  -0.869904D+01  0.100044D+02 -0.423160D+01  0.724450D+01 -0.205291D+01
      6   0.368231D+01 -0.939320D+00  0.445055D+01 -0.855532D+01  0.863433D+00
                26            27            28            29            30 
      1   0.288248D+01 -0.366338D+01  0.294355D+02  0.349154D+01 -0.481869D+01
      2   0.318263D+01 -0.184762D+01 -0.180649D+02  0.114666D+01  0.724450D+01
      3  -0.606511D+01  0.551100D+01 -0.113706D+02 -0.463820D+01 -0.242581D+01
      4   0.130621D+01  0.277007D+01  0.164356D+02  0.164992D+02 -0.553048D+01
      5   0.169422D+01  0.299298D+01 -0.103148D+02 -0.407986D+01  0.138068D+02
      6   0.335037D+01  0.526461D+01 -0.296403D+01 -0.205008D+01  0.428775D+01
                31            32            33            34            35 
      1  -0.502646D+01  0.588479D+01  0.206884D+01 -0.439663D+00  0.285582D-03
      2   0.685336D+01  0.149686D+01 -0.721583D-01  0.221996D+01  0.317581D+00
      3  -0.182690D+01 -0.738166D+01 -0.199668D+01 -0.178030D+01 -0.317866D+00
      4   0.136887D+02  0.882149D+01 -0.178279D+01 -0.486087D+01 -0.422442D+01
      5  -0.139977D+01 -0.357267D+01  0.143513D+01  0.130776D+02  0.573654D+01
      6  -0.563665D+00 -0.215758D+01  0.744920D+01  0.246137D+01  0.620573D+01
                36            37            38            39            40 
      1   0.696502D-01  0.471392D+02 -0.249658D+01  0.656294D+01 -0.120452D+02
      2  -0.945158D+01 -0.242604D+02  0.112024D+01 -0.333657D+01  0.786732D+01
      3   0.938193D+01 -0.228789D+02  0.137633D+01 -0.322637D+01  0.417791D+01
      4   0.642882D+01  0.199886D+01  0.104445D+02  0.439002D+01  0.727499D+01
      5  -0.135027D+02  0.931860D+01  0.326903D+01  0.556777D+01  0.366870D+01
      6  -0.434111D+01  0.147239D+01  0.672036D+00 -0.897449D+00  0.241189D+01
                41            42            43            44            45 
      1   0.139549D+01  0.284661D+01  0.103184D+02  0.224155D+01 -0.408698D+01
      2   0.385737D+01 -0.957732D+00 -0.704234D+01 -0.472696D+00 -0.195247D+01
      3  -0.525287D+01 -0.188888D+01 -0.327604D+01 -0.176885D+01  0.603945D+01
      4  -0.296553D+01  0.473995D+01  0.641655D+01  0.578145D+01 -0.792993D+01
      5   0.461108D+01 -0.872282D+01  0.134403D+01 -0.755735D+01  0.195166D+02
      6   0.194532D+01  0.164906D+01 -0.179893D+01  0.180223D+01  0.549187D+01
                46            47            48            49            50 
      1   0.628600D+00  0.322492D+01 -0.204136D+01  0.178154D+01 -0.113080D+02
      2  -0.291374D+01 -0.101203D+01  0.230547D+01 -0.142100D+01  0.210781D+02
      3   0.228514D+01 -0.221289D+01 -0.264109D+00 -0.360543D+00 -0.977005D+01
      4   0.127453D+02 -0.214968D+01  0.973818D+00  0.410220D+01 -0.179936D+01
      5  -0.123917D+01 -0.615546D+00  0.544761D+01 -0.419932D+00 -0.786657D-01
      6   0.149754D+01 -0.965558D+00 -0.465856D+01 -0.357832D+01 -0.100323D+02
                51            52            53            54            55 
      1   0.724961D+01 -0.502462D+00  0.925277D+01  0.477786D+01  0.222853D+02
      2  -0.569797D+01  0.197553D+01 -0.924959D+01 -0.866212D+01 -0.801001D+01
      3  -0.155164D+01 -0.147307D+01 -0.317792D-02  0.388426D+01 -0.142753D+02
      4  -0.122244D+01  0.182612D+01  0.133134D+01 -0.154934D+01 -0.233356D+02
      5   0.820548D+00  0.440149D+01  0.700096D+00 -0.854780D+00  0.878501D+01
      6  -0.705797D-01 -0.362583D+01 -0.677543D+01 -0.126705D+02 -0.248655D+01
                56            57            58            59            60 
      1  -0.812597D+01  0.297338D+01 -0.947226D+01 -0.995404D+01  0.191297D+01
      2  -0.279826D+01 -0.241807D+01 -0.139678D+01  0.305393D+02 -0.871902D-01
      3   0.109242D+02 -0.555308D+00  0.108690D+02 -0.205852D+02 -0.182578D+01
      4   0.250834D+02 -0.544712D+01  0.286571D+02 -0.432661D+02  0.705889D+01
      5  -0.620998D+01  0.129402D+02 -0.578030D+01  0.906705D+01 -0.128008D+02
      6   0.187526D+01 -0.591890D+01  0.376650D+01 -0.523254D+01  0.137596D+02
                61            62            63            64            65 
      1   0.373005D+01  0.144000D+01 -0.136940D+01  0.489165D+00  0.481249D+00
      2  -0.227120D+01 -0.142392D+01 -0.174292D+01 -0.410621D+01 -0.114225D+01
      3  -0.145885D+01 -0.160871D-01  0.311231D+01  0.361705D+01  0.661004D+00
      4  -0.473236D+01  0.463867D+01 -0.117518D+02  0.122034D+01  0.204213D+01
      5   0.132590D+02 -0.115828D+02  0.926549D+01 -0.269062D+01 -0.154918D+01
      6  -0.584669D+01  0.115495D+02 -0.568996D+01 -0.159051D+01 -0.551344D+00
                66            67            68            69            70 
      1  -0.239007D+00 -0.183594D+00 -0.397630D+01  0.364198D+01  0.105918D+01
      2   0.193954D+01 -0.104942D+01 -0.893114D+00  0.256518D+01  0.228501D+01
      3  -0.170054D+01  0.123301D+01  0.486942D+01 -0.620716D+01 -0.334419D+01
      4  -0.965543D+00  0.364913D+01  0.182140D+01 -0.176999D+01 -0.122251D+01
      5   0.684892D+01 -0.188629D+01 -0.180686D+01  0.240847D+01  0.593685D+01
      6   0.570184D+00 -0.127750D+01 -0.488264D+01  0.829922D+01  0.141823D+01
                71            72            73            74            75 
      1   0.282670D+01 -0.158266D+02  0.276549D+00 -0.633800D+00  0.402556D+01
      2   0.434506D+01 -0.164476D+02 -0.348084D+01 -0.214152D-01 -0.260256D+00
      3  -0.717176D+01  0.322742D+02  0.320429D+01  0.655215D+00 -0.376531D+01
      4  -0.145701D+01  0.205545D+01 -0.741182D+00  0.208048D+00  0.720333D+00
      5   0.161752D+01 -0.698153D+01  0.936750D+00 -0.477981D+00  0.420086D+01
      6   0.621355D+01 -0.736705D+01  0.102999D+00 -0.844399D+00 -0.719055D+00
                76            77            78            79            80 
      1  -0.234810D+01 -0.431077D+01  0.168799D+01  0.464840D+01  0.114453D+00
      2   0.105893D+01  0.157061D+01  0.270090D+01 -0.175120D+01  0.187228D+01
      3   0.128917D+01  0.274016D+01 -0.438889D+01 -0.289720D+01 -0.198674D+01
      4  -0.773823D+00 -0.645703D+00  0.243316D+01  0.132116D+01  0.217690D+01
      5  -0.694352D+00  0.200520D+01 -0.285829D+01  0.431706D+01 -0.437332D+00
      6   0.663345D-02 -0.810155D+00  0.383582D+01 -0.109386D+00  0.423362D+01
                81            82            83            84            85 
      1  -0.171214D+02 -0.149805D+01  0.495380D+01  0.150800D+00  0.536138D+01
      2  -0.126921D+02  0.414176D+01 -0.452840D+01  0.212238D+00 -0.399079D+01
      3   0.298135D+02 -0.264370D+01 -0.425399D+00 -0.363038D+00 -0.137060D+01
      4  -0.201002D+01  0.836497D+00  0.392293D+01 -0.126328D+00  0.444217D+01
      5   0.140171D+02 -0.501589D+00  0.699250D+00  0.512305D+00  0.751093D+00
      6   0.531940D+01  0.176781D+00 -0.683416D+00 -0.843302D+00 -0.462134D+00
                86            87            88            89            90 
      1  -0.209608D+02 -0.204130D+01 -0.139782D+01  0.216901D+00 -0.476270D+01
      2   0.340177D+02  0.129906D+01  0.121104D+01 -0.135981D+01  0.296474D+01
      3  -0.130569D+02  0.742245D+00  0.186782D+00  0.114291D+01  0.179796D+01
      4   0.143886D+02  0.743864D+00 -0.782971D+00 -0.109579D+01  0.113722D+01
      5   0.200446D+00  0.163552D+01  0.264306D+00  0.185996D+01  0.706276D+00
      6   0.511251D+01  0.543528D+01 -0.759524D+00  0.567138D+01  0.330225D+00
                91            92            93            94            95 
      1  -0.106139D+02  0.385432D+01  0.967874D+00  0.907882D+01 -0.768921D+01
      2   0.865051D+01 -0.159524D+01 -0.257239D+01 -0.525936D+01  0.924149D+01
      3   0.196335D+01 -0.225909D+01  0.160451D+01 -0.381946D+01 -0.155228D+01
      4  -0.169192D+01 -0.224283D+01  0.207274D+01  0.475372D+01  0.996316D+01
      5   0.281809D+01  0.504634D+00 -0.348688D+01 -0.245920D+01 -0.180030D+01
      6   0.217986D+01  0.412262D+00  0.221961D-01 -0.228294D+01 -0.442431D+01
                96            97            98            99           100 
      1   0.783558D+00  0.115282D+01  0.237378D+01 -0.279961D+01  0.110725D+02
      2  -0.371979D+00 -0.882784D+00 -0.205733D+01  0.118728D+01 -0.788667D+00
      3  -0.411579D+00 -0.270041D+00 -0.316454D+00  0.161232D+01 -0.102838D+02
      4  -0.391553D+01  0.316146D+00 -0.135715D+01  0.127659D+01 -0.195502D+02
      5   0.408454D+01  0.872627D+00  0.134741D+01 -0.668398D+00 -0.652870D+00
      6   0.367860D+01  0.200424D+00  0.336086D+01 -0.366910D+01 -0.167029D+01
               101           102           103           104           105 
      1   0.796387D+00  0.243888D+01 -0.945943D+00  0.565707D+00 -0.105245D+00
      2  -0.678952D+01 -0.496633D+00 -0.301439D+01  0.326789D+01 -0.318030D+00
      3   0.599313D+01 -0.194225D+01  0.396033D+01 -0.383360D+01  0.423275D+00
      4   0.124295D+02 -0.196704D+01  0.902897D+01 -0.604061D+01  0.401657D+00
      5   0.454886D+00  0.236572D+01  0.622260D+00 -0.951865D-01 -0.992128D+00
      6  -0.886975D+00 -0.376995D+01 -0.374492D+00  0.243285D+00  0.228452D+01
               106           107           108           109           110 
      1   0.104795D+01 -0.205505D+00  0.297713D+00 -0.135251D+01 -0.223938D+01
      2  -0.370479D+00 -0.560945D+00 -0.147577D+00  0.153670D+01  0.206701D+01
      3  -0.677471D+00  0.766450D+00 -0.150136D+00 -0.184193D+00  0.172367D+00
      4  -0.394287D+01  0.861150D+00 -0.182942D+01  0.513438D+00  0.403279D+01
      5   0.270854D+01 -0.124188D+01  0.288523D+00  0.591855D+00  0.201737D+01
      6  -0.128888D+01  0.275058D+01 -0.984100D+00  0.292206D+01  0.303557D+01
               111           112           113           114           115 
      1  -0.203811D+01 -0.168327D+01 -0.127399D+02 -0.818660D+01 -0.189870D+01
      2   0.659040D+00  0.131899D+01  0.151003D+02  0.809373D+01  0.554032D+00
      3   0.137907D+01  0.364281D+00 -0.236040D+01  0.928742D-01  0.134467D+01
      4   0.290889D+01  0.372544D+01 -0.150403D+01 -0.633170D+00  0.288928D+01
      5   0.214246D+01  0.931313D+00 -0.112701D+01 -0.174834D+01  0.224823D+01
      6   0.448312D+01  0.785061D+00  0.153646D+02  0.144075D+02  0.273696D+01
               116           117           118           119           120 
      1  -0.125544D+02 -0.133768D+02  0.126537D+02  0.355045D+01 -0.671438D+01
      2   0.104974D+02  0.644647D+01 -0.655872D+01 -0.149125D+01  0.358693D+01
      3   0.205696D+01  0.693034D+01 -0.609494D+01 -0.205920D+01  0.312746D+01
      4  -0.999720D+00  0.441995D+00  0.571981D+01  0.478009D+01 -0.366270D+01
      5  -0.168523D+01 -0.110206D+01 -0.744144D+01 -0.264694D+01  0.927741D+01
      6   0.185192D+02  0.194052D+02 -0.225385D+01 -0.560477D+00  0.157200D+01
               121           122           123           124           125 
      1   0.580686D+01  0.253833D+01 -0.307747D+01 -0.137675D+02 -0.264591D+01
      2  -0.191911D+01 -0.295357D-01  0.669786D+00  0.834082D+01  0.107628D+01
      3  -0.388775D+01 -0.250879D+01  0.240769D+01  0.542667D+01  0.156963D+01
      4   0.768871D+01  0.595677D+01 -0.653923D+01 -0.815292D+01 -0.772269D+01
      5  -0.511994D+01 -0.548301D+01  0.826303D+01  0.149713D+02  0.765895D+01
      6  -0.255138D+01 -0.274919D+01  0.423446D+01  0.427802D+01  0.345000D+01
               126 
      1   0.801664D+01
      2  -0.697238D+01
      3  -0.104426D+01
      4   0.936921D+01
      5  -0.223944D+02
      6  -0.652677D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.177208D+01      0.450418D+01      0.150243D+02
   x         -0.140490D+01     -0.357091D+01     -0.119113D+02
   y          0.825060D+00      0.209709D+01      0.699515D+01
   z          0.696985D+00      0.177156D+01      0.590928D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547500D+02      0.811311D+01      0.902705D+01
   aniso      0.138511D+02      0.205252D+01      0.228374D+01
   xx         0.600536D+02      0.889902D+01      0.990150D+01
   yx        -0.174617D+01     -0.258755D+00     -0.287904D+00
   yy         0.574969D+02      0.852016D+01      0.947996D+01
   zx        -0.203351D+01     -0.301335D+00     -0.335280D+00
   zy        -0.255420D+01     -0.378493D+00     -0.421131D+00
   zz         0.466994D+02      0.692014D+01      0.769969D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.588593D+02      0.872205D+01      0.970459D+01
   aniso      0.138575D+02      0.205346D+01      0.228479D+01
   xx         0.640716D+02      0.949443D+01      0.105640D+02
   yx        -0.171069D+01     -0.253498D+00     -0.282055D+00
   yy         0.617482D+02      0.915014D+01      0.101809D+02
   zx        -0.183717D+01     -0.272241D+00     -0.302909D+00
   zy        -0.267130D+01     -0.395846D+00     -0.440438D+00
   zz         0.507580D+02      0.752157D+01      0.836887D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.17951951         -1.26322649          0.79520561
     6          0.56296708         -0.32736233          0.73998527
     6          1.28956525          0.12530081         -2.03032785
     8          1.33973685          2.56629304         -2.68368791
     8         -3.05042541         -1.65104598          3.30547719
     7          0.76869236          2.01188673          2.19635093
     8          1.69407911         -1.56755846         -3.48584197
     1          1.78912746         -1.84155660          1.43804261
     1         -3.41206425          0.18252343         -0.00730789
     1         -2.33494878         -2.96740208         -0.35597159
     1          0.97142327          3.50125853         -1.11767282
     1         -0.50562739          2.00724919          3.62736022
     1          2.50918904          2.22141094          2.96242428
     1         -2.30315643         -3.17648985          3.96191848

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.177208D+01      0.450418D+01      0.150243D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.177208D+01      0.450418D+01      0.150243D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547500D+02      0.811311D+01      0.902705D+01
   aniso      0.138511D+02      0.205252D+01      0.228374D+01
   xx         0.481301D+02      0.713214D+01      0.793558D+01
   yx         0.212314D+01      0.314616D+00      0.350058D+00
   yy         0.570645D+02      0.845609D+01      0.940867D+01
   zx        -0.492878D+01     -0.730370D+00     -0.812646D+00
   zy         0.113677D+01      0.168451D+00      0.187427D+00
   zz         0.590553D+02      0.875110D+01      0.973691D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.588593D+02      0.872205D+01      0.970459D+01
   aniso      0.138575D+02      0.205346D+01      0.228479D+01
   xx         0.523220D+02      0.775332D+01      0.862673D+01
   yx         0.210638D+01      0.312134D+00      0.347296D+00
   yy         0.613172D+02      0.908627D+01      0.101098D+02
   zx        -0.502216D+01     -0.744208D+00     -0.828043D+00
   zy         0.128111D+01      0.189840D+00      0.211226D+00
   zz         0.629387D+02      0.932655D+01      0.103772D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-32\Freq\RM11\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.143775,-0.6740
 95,-0.437636\C,-0.192819,0.114958,0.470853\C,1.243923,-0.263455,0.0875
 63\O,1.874804,0.673356,-0.628783\O,-2.504247,-0.351006,-0.184987\N,-0.
 416115,1.547904,0.283938\O,1.734731,-1.321804,0.371413\H,-0.341797,-0.
 217774,1.50362\H,-0.962424,-0.398578,-1.477959\H,-0.944875,-1.741017,-
 0.322569\H,1.241903,1.425342,-0.687718\H,-1.387261,1.719755,0.048304\H
 ,-0.202584,2.074274,1.121954\H,-2.776443,-0.766154,0.64098\\Version=ES
 64L-G16RevA.03\State=1-A\HF=-399.1538779\RMSD=4.086e-09\RMSF=1.028e-05
 \ZeroPoint=0.1136844\Thermal=0.1211532\Dipole=-1.4049035,0.8250596,0.6
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 TIME IS NATURE'S WAY OF MAKING SURE EVERYTHING
 DOESN'T HAPPEN AT ONCE.
                     - WOODY ALLEN
 Job cpu time:       0 days  0 hours 51 minutes 31.8 seconds.
 Elapsed time:       0 days  0 hours  6 minutes 28.0 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:41:48 2021.
